THIAZOLIDINE-2-CARBOXYLIC ACID(16310-13-7) MS
Product NameTHIAZOLIDINE-2-CARBOXYLIC ACID
CAS16310-13-7
Molecular FormulaC4H7NO2S
Molecular Weight133.17
InChIInChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)
InChIKey ULSZVNJBVJWEJE-UHFFFAOYSA-N
SmilesS1CCNC1C(O)=O
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MassMS-IW-2680 2-thiazolidinecarboxylic acid C4H7NO2S (Mass of molecular ion: 133)
Source Temperature: 110 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 2.0 27.0 3.6 28.0 9.7 35.0 1.9 41.0 8.5 42.0 3.3 44.0 8.8 45.0 7.0 46.0 1.2 58.0 2.1 59.0 6.8 60.0 4.6 61.0 13.3 69.0 6.9 86.0 2.1 87.0 4.6 88.0 100.0 89.0 4.7 90.0 4.5 133.0 4.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H7 N O2 S saturated in DMSO-d6 2-thiazolidinecarboxylic acid 
Assign. Shift(ppm)
A 4.832 B 3.363 C 2.995 D 2.80 E 2.79
Hz ppm Int.1931.27 4.833 1000 1551.51 3.883 78 1356.08 3.394 102 1350.71 3.380 174 1344.73 3.365 161 1338.87 3.351 192 1333.50 3.337 124 1209.59 3.027 121 1203.61 3.012 177 1202.76 3.010 199 1197.63 2.997 143 1196.90 2.995 191 1191.77 2.983 150 1190.92 2.980 183 1184.94 2.965 146 1135.01 2.841 52 1130.00 2.828 68 1129.15 2.826 68 1125.49 2.817 233 1124.15 2.813 98 1121.34 2.806 300 1120.48 2.804 339 1119.63 2.802 302 1115.48 2.792 338 1114.62 2.789 441 1111.94 2.783 84 1108.64 2.775 196 1105.96 2.768 76 1105.10 2.766 74 1099.12 2.751 49
in DMSO-d6
KBr disc
nujol mull
