Retinoic acid(302-79-4) 1H NMR
Product NameRetinoic acid
CAS302-79-4
Molecular FormulaC20H28O2
Molecular Weight300.44
InChIInChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
InChIKey SHGAZHPCJJPHSC-YCNIQYBTSA-N
SmilesC(O)(=O)/C=C(/C=C/C=C(/C=C/C1C(C)(C)CCCC=1C)\C)\C
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MassMS2017-05431CM all-trans-retinoic acid C20H28O2 (Mass of molecular ion: 300)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
17.0 5.6 18.0 28.1 27.0 4.3 28.0 4.4 29.0 6.7 36.0 1.3 39.0 7.9 40.0 1.2 41.0 31.1 42.0 1.5 43.0 11.2 44.0 4.6 51.0 3.5 52.0 1.3 53.0 10.5 55.0 27.4 56.0 2.2 57.0 5.6 63.0 1.8 64.0 1.4 65.0 9.0 66.0 1.8 67.0 12.8 68.0 1.1 69.0 29.8 70.0 1.9 71.0 2.9 76.0 1.4 77.0 23.4 78.0 6.0 79.0 24.4 80.0 4.2 81.0 24.5 82.0 2.4 83.0 9.4 84.0 1.4 85.0 2.6 87.0 1.1 89.0 2.6 90.0 1.5 91.0 45.6 92.0 9.0 93.0 26.0 94.0 4.9 95.0 24.5 96.0 2.4 97.0 3.3 98.0 2.1 99.0 2.5 100.0 1.6 102.0 1.6 103.0 6.2 104.0 3.1 105.0 50.1 106.0 10.9 107.0 38.7 108.0 6.3 109.0 16.6 110.0 1.8 111.0 14.5 112.0 2.5 113.0 2.5 114.0 1.4 115.0 16.7 116.0 6.6 117.0 15.9 118.0 5.2 119.0 41.7 120.0 19.5 121.0 23.9 122.0 8.6 123.0 12.4 124.0 1.9 125.0 3.5 126.0 1.6 127.0 5.1 128.0 20.0 129.0 20.5 130.0 8.3 131.0 27.1 132.0 9.0 133.0 32.4 134.0 6.5 135.0 10.7 136.0 4.2 137.0 7.0 139.0 2.6 141.0 12.4 142.0 12.2 143.0 28.2 144.0 11.2 145.0 42.2 146.0 10.2 147.0 15.5 148.0 4.1 149.0 6.6 150.0 1.9 151.0 8.9 152.0 5.4 153.0 7.1 154.0 4.8 155.0 13.0 156.0 12.0 157.0 32.2 158.0 11.2 159.0 35.4 160.0 10.2 161.0 23.1 162.0 4.3 163.0 17.3 164.0 23.6 165.0 7.9 166.0 3.2 167.0 4.9 168.0 3.7 169.0 15.6 170.0 9.2 171.0 38.0 172.0 9.1 173.0 25.8 174.0 5.2 175.0 17.5 176.0 10.2 177.0 13.4 178.0 3.4 179.0 3.6 180.0 1.8 181.0 4.0 182.0 3.4 183.0 13.8 184.0 5.2 185.0 35.9 186.0 12.1 187.0 10.4 188.0 3.2 189.0 5.6 190.0 3.8 191.0 3.0 192.0 1.1 193.0 2.0 194.0 1.3 195.0 3.5 196.0 3.1 197.0 16.3 198.0 4.9 199.0 15.9 200.0 4.0 201.0 15.2 202.0 3.8 203.0 5.7 204.0 3.2 205.0 1.3 207.0 1.1 209.0 2.2 210.0 2.1 211.0 12.6 212.0 3.8 213.0 7.1 214.0 2.6 215.0 12.8 216.0 3.9 217.0 6.9 218.0 5.3 219.0 1.2 223.0 1.3 224.0 1.2 225.0 8.2 226.0 2.4 227.0 1.5 229.0 10.4 230.0 8.2 231.0 9.1 232.0 1.9 239.0 7.1 240.0 2.7 241.0 4.4 242.0 1.1 243.0 5.0 244.0 3.7 245.0 1.3 254.0 1.0 255.0 24.8 256.0 7.7 257.0 6.4 258.0 1.4 267.0 6.0 268.0 1.4 271.0 1.0 282.0 1.1 285.0 31.2 286.0 6.7 287.0 1.4 300.0 100.0 301.0 22.0 302.0 3.8
KBr disc
Nujol
