HEMATOPORPHYRIN(14459-29-1) IR1
Product NameHEMATOPORPHYRIN
CAS14459-29-1
Molecular FormulaC34H38N4O6
Molecular Weight598.69
InChIInChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-
InChIKey UJKPHYRXOLRVJJ-AMPAVEGJSA-N
SmilesC1=C2N=C(C=C3NC(=CC4=NC(=CC5NC1=C(C)C=5CCC(O)=O)C(CCC(O)=O)=C4C)C(C)=C3C(O)C)C(C)=C2C(O)C |c:0,4,7,11|
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MassMS-NW-9135 hematoporphyrin C34H38N4O6 (Mass of molecular ion: 598)
Source Temperature: 240 °C Sample Temperature: 320 °C Direct, 75 eV
14.0 2.6 15.0 11.8 16.0 10.8 17.0 6.9 18.0 40.7 26.0 5.2 27.0 16.4 28.0 43.9 29.0 10.6 30.0 7.3 32.0 2.3 35.0 1.2 36.0 19.4 38.0 6.7 39.0 11.1 40.0 3.9 41.0 15.9 42.0 12.7 43.0 6.2 44.0 18.5 46.5 1.6 50.0 1.9 51.0 4.7 52.0 4.0 53.0 10.1 53.5 1.3 54.0 3.7 55.0 3.6 56.0 2.0 57.0 2.0 58.5 1.4 63.0 2.4 64.0 1.1 65.0 7.7 66.0 4.2 67.0 17.3 68.0 2.8 69.0 1.1 70.0 1.0 71.0 1.0 76.0 1.3 77.0 9.7 78.0 4.7 79.0 10.0 80.0 13.7 81.0 9.3 82.0 2.0 83.0 1.0 83.5 1.1 89.0 1.8 90.0 1.3 91.0 5.9 92.0 4.6 93.0 14.2 94.0 59.1 95.0 20.1 95.5 1.1 96.0 2.5 97.0 1.0 102.0 1.9 103.0 2.9 104.0 3.4 105.0 2.4 106.0 11.9 107.0 16.4 108.0 100.0 109.0 40.4 110.0 4.6 111.0 2.4 112.0 1.1 115.0 3.3 116.0 2.8 116.5 1.0 117.0 4.3 118.0 5.7 119.0 3.0 120.0 13.7 121.0 12.0 122.0 45.3 123.0 39.7 124.0 4.9 125.0 1.9 127.0 1.7 128.0 2.1 129.0 1.8 130.0 4.5 131.0 4.1 132.0 4.3 133.0 3.0 134.0 8.0 135.0 6.3 136.0 8.1 137.0 12.3 138.0 1.9 140.0 1.4 141.0 1.3 142.0 1.5 143.0 2.6 144.0 4.5 145.0 3.6 146.0 3.9 147.0 3.0 148.0 3.1 149.0 3.1 150.0 1.7 151.0 2.8 152.0 1.7 154.0 1.9 155.0 1.8 156.0 1.8 157.0 1.7 158.0 3.1 159.0 2.9 160.0 3.0 161.0 2.5 162.0 1.7 163.0 1.8 165.0 1.8 166.0 1.5 167.0 2.8 168.0 2.7 169.0 2.0 170.0 2.0 171.0 1.6 172.0 2.0 173.0 3.6 174.0 2.8 175.0 2.0 177.0 1.5 178.0 1.6 179.0 1.7 180.0 2.7 181.0 3.1 182.0 3.5 183.0 2.4 184.0 2.2 185.0 1.7 186.0 1.5 187.0 2.2 188.0 2.5 189.0 1.9 191.0 2.2 192.0 2.4 193.0 2.8 194.0 3.7 195.0 4.9 196.0 4.6 197.0 3.3 198.0 2.4 199.0 2.1 200.0 1.7 201.0 2.1 202.0 3.0 203.0 3.0 204.0 2.8 205.0 2.8 206.0 3.5 207.0 5.0 208.0 5.0 209.0 8.0 210.0 7.5 211.0 5.4 212.0 3.0 213.0 2.6 214.0 2.0 216.0 2.8 217.0 3.6 218.0 5.6 219.0 5.0 220.0 5.4 221.0 8.1 222.0 6.8 223.0 13.1 224.0 11.3 225.0 6.9 226.0 3.5 227.0 2.5 229.0 2.2 230.0 2.5 231.0 4.4 232.0 6.1 233.0 8.6 234.0 9.1 235.0 9.7 236.0 8.3 237.0 15.2 238.0 13.8 239.0 5.6 240.0 3.3 241.0 2.1 243.0 2.1 244.0 2.3 245.0 4.5 246.0 4.5 247.0 9.3 248.0 11.5 249.0 8.7 250.0 7.6 251.0 10.8 252.0 11.7 253.0 4.2 254.0 2.6 255.0 1.6 257.0 1.7 258.0 1.8 259.0 3.6 260.0 3.6 261.0 6.3 262.0 8.6 263.0 6.7 264.0 6.4 265.0 5.5 266.0 7.5 267.0 2.7 268.0 2.0 269.0 1.3 271.0 1.5 272.0 1.7 273.0 2.8 274.0 2.9 275.0 3.2 276.0 4.3 277.0 3.8 278.0 4.2 279.0 2.4 280.0 3.3 281.0 1.5 282.0 1.3 284.0 1.2 285.0 1.5 286.0 1.5 287.0 2.0 288.0 2.1 289.0 1.8 290.0 2.4 291.0 1.6 292.0 2.1 293.0 1.2 294.0 1.6 296.0 1.0 297.0 1.0 298.0 1.4 299.0 1.4 300.0 1.5 301.0 1.5 302.0 1.7 303.0 1.3 304.0 1.2 305.0 1.0 306.0 1.1 308.0 1.1 309.0 1.0 310.0 1.1 311.0 1.1 312.0 1.4 313.0 1.5 314.0 1.5 315.0 1.2 316.0 1.2 317.0 1.1 322.0 1.0 323.0 1.0 324.0 1.2 325.0 1.2 326.0 1.6 327.0 1.5 328.0 1.4 329.0 1.2 331.0 1.2 335.0 1.0 336.0 1.3 337.0 1.2 338.0 1.4 339.0 1.4 340.0 1.6 341.0 1.7 342.0 1.3 343.0 1.1 345.0 1.4 348.0 1.1 349.0 1.2 350.0 1.4 351.0 1.2 352.0 1.5 353.0 1.7 354.0 1.4 355.0 1.6 356.0 1.1 357.0 1.1 359.0 1.4 360.0 1.2 361.0 1.2 362.0 1.5 363.0 1.9 364.0 1.5 365.0 1.6 366.0 1.4 367.0 1.9 368.0 1.2 369.0 1.3 370.0 1.0 373.0 1.2 374.0 1.2 375.0 1.5 376.0 1.7 377.0 2.9 378.0 2.0 379.0 2.2 380.0 2.0 381.0 1.8 382.0 1.0 383.0 1.0 387.0 1.3 388.0 1.3 389.0 2.1 390.0 2.1 391.0 3.9 392.0 2.9 393.0 3.9 394.0 3.7 395.0 1.9 401.0 1.3 402.0 1.3 403.0 2.5 404.0 2.4 405.0 4.7 406.0 3.9 407.0 6.8 408.0 7.2 409.0 2.6 413.0 1.2 414.0 1.0 415.0 1.5 416.0 1.5 417.0 2.6 418.0 2.6 419.0 4.9 420.0 5.1 421.0 9.6 422.0 12.7 423.0 4.3 424.0 1.3 427.0 1.4 428.0 1.5 429.0 1.9 430.0 2.0 431.0 2.4 432.0 2.6 433.0 4.9 434.0 6.7 435.0 10.4 436.0 17.2 437.0 5.8 438.0 1.7 439.0 1.2 441.0 1.6 442.0 2.1 443.0 2.4 444.0 3.1 445.0 2.6 446.0 3.1 447.0 4.3 448.0 7.7 449.0 8.5 450.0 17.8 451.0 6.2 452.0 2.0 453.0 1.4 454.0 1.8 455.0 2.0 456.0 2.6 457.0 2.7 458.0 4.1 459.0 2.8 460.0 3.3 461.0 3.6 462.0 7.2 463.0 5.4 464.0 13.3 465.0 4.9 466.0 2.1 468.0 2.3 469.0 2.1 470.0 2.9 471.0 2.7 472.0 4.4 473.0 2.6 474.0 3.3 475.0 2.6 476.0 5.4 477.0 2.7 478.0 6.5 479.0 3.0 480.0 2.1 482.0 2.7 483.0 2.6 484.0 2.8 485.0 2.1 486.0 3.7 487.0 2.0 488.0 2.4 489.0 1.6 490.0 2.9 491.0 1.5 492.0 2.1 494.0 1.7 495.0 1.8 496.0 2.4 497.0 2.6 498.0 2.3 499.0 1.9 500.0 2.3 501.0 1.4 502.0 1.6 503.0 1.2 504.0 1.8 506.0 1.3 507.0 1.2 508.0 1.5 509.0 1.8 510.0 1.8 511.0 2.6 512.0 1.7 513.0 1.4 514.0 1.3 516.0 1.0 518.0 1.2 519.0 1.0 521.0 1.0 522.0 1.0 523.0 1.5 524.0 1.3 525.0 1.8 526.0 1.2 537.0 1.1 539.0 1.0
KBr disc
nujol mull
