N-Carboxyethylrhodanine(7025-19-6) MS
Product NameN-Carboxyethylrhodanine
CAS7025-19-6
Molecular FormulaC6H7NO3S2
Molecular Weight205.25
InChIInChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)
InChIKey SWAHCTPCIUXXTQ-UHFFFAOYSA-N
SmilesS1CC(=O)N(CCC(O)=O)C1=S
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MassMS-NW-1648 4-oxo-2-thioxo-3-thiazolidinepropionic acid C6H7NO3S2 (Mass of molecular ion: 205)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
14.0 2.7 15.0 3.4 18.0 3.5 26.0 3.9 27.0 20.6 28.0 9.5 29.0 8.6 30.0 1.3 31.0 1.9 32.0 2.3 40.0 1.5 41.0 2.5 42.0 11.0 43.0 11.0 44.0 3.0 45.0 24.3 46.0 36.4 47.0 4.8 48.0 1.6 54.0 1.6 55.0 20.5 56.0 5.0 57.0 1.1 58.0 3.5 59.0 10.1 60.0 17.7 61.0 1.1 64.0 9.0 70.0 1.8 71.0 21.0 72.0 19.3 73.0 15.3 74.0 10.5 75.0 5.7 76.0 4.5 77.0 2.7 78.0 2.7 83.0 1.1 84.0 1.0 85.0 21.8 86.0 19.9 87.0 12.4 88.0 11.3 90.0 2.3 91.0 2.3 98.0 5.1 100.0 1.0 101.0 4.7 103.0 1.7 104.0 1.9 105.0 1.0 112.0 2.3 114.0 14.6 115.0 1.0 117.0 2.1 118.0 6.1 119.0 1.3 129.0 1.9 130.0 16.7 131.0 4.2 132.0 7.2 133.0 10.0 134.0 1.6 143.0 1.4 145.0 1.5 158.0 1.7 159.0 8.6 160.0 5.8 161.0 1.4 163.0 35.4 164.0 2.4 165.0 3.4 172.0 2.4 177.0 3.8 188.0 2.0 205.0 100.0 206.0 8.8 207.0 9.6 217.0 1.5
KBr disc
nujol mull
