D-Proline(344-25-2) IR1
Molecular FormulaC5H9NO2
Molecular Weight115.13
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChIKey ONIBWKKTOPOVIA-SCSAIBSYSA-N
SmilesC(O)(=O)[C@H]1CCCN1
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MassMS-IW-2642 D-(+)-proline C5H9NO2 (Mass of molecular ion: 115)
Source Temperature: 190 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 1.1 27.0 3.3 28.0 20.4 29.0 1.0 30.0 2.8 39.0 5.3 40.0 1.7 41.0 19.5 42.0 5.7 43.0 20.8 44.0 1.3 45.0 1.6 68.0 9.9 69.0 5.7 70.0 100.0 71.0 5.4 87.0 1.1 115.0 1.2
400 MHz in D2O
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1H NMR 399.65 MHz C5 H9 N O2 0.042 g : 0.5 ml D2O D-(+)-proline 
Assign. Shift(ppm)
B 4.132 C *1 3.424 D *1 3.343 E *2 2.352 F *2 2.07 G 2.05 to 1.98 ASSIGNED BY H-H COSY. THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.1659.30 4.152 610 1653.20 4.137 768 1650.63 4.131 891 1647.34 4.122 53 1644.17 4.115 898 1383.54 3.462 241 1376.46 3.445 433 1376.22 3.444 433 1371.95 3.433 473 1370.12 3.429 272 1369.38 3.427 266 1364.62 3.415 759 1357.79 3.398 369 1347.29 3.372 598 1344.48 3.365 35 1340.09 3.354 1000 1335.57 3.342 372 1333.01 3.336 466 1328.61 3.325 484 1323.36 3.312 96 1321.41 3.307 246 958.50 2.399 153 950.93 2.380 271 945.07 2.365 342 942.50 2.359 215 938.84 2.350 478 936.89 2.345 325 936.52 2.344 324 932.01 2.333 261 930.18 2.328 429 924.07 2.313 137 846.19 2.118 157 839.72 2.102 378 838.62 2.099 312 832.03 2.082 574 825.93 2.067 458 825.44 2.066 462 822.39 2.058 137 820.56 2.054 328 818.48 2.048 553 817.99 2.047 560 815.55 2.041 454 813.48 2.036 462 811.89 2.032 832 809.33 2.026 678 805.18 2.015 833 801.64 2.006 710 798.95 2.000 563 794.19 1.988 513 791.75 1.982 201 788.70 1.974 137 787.23 1.970 187 781.49 1.956 65 781.25 1.955 65
in D2O
KBr disc
nujol mull
