SpectraBase Compound ID | BefSCurhQ4G |
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InChI | InChI=1S/C3H6N2O2S/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8) |
InChIKey | KIESEUTUOQOHLE-UHFFFAOYSA-N |
Mol Weight | 134.15 g/mol |
Molecular Formula | C3H6N2O2S |
Exact Mass | 134.014999 g/mol |
SpectraBase Spectrum ID | L0WtY39vJx0 |
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Name | N-(Thiocarbamoyl)glycine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 134.014998613 u |
Formula | C3H6N2O2S |
InChI | InChI=1S/C3H6N2O2S/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8) |
InChIKey | KIESEUTUOQOHLE-UHFFFAOYSA-N |
SMILES | N(C(N)=S)CC(O)=O |
Spectrum/Structure Validation Score (Raman) | 0.839066 |