| SpectraBase Compound ID | 2raQl0BU2og |
|---|---|
| InChI | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) |
| InChIKey | XUJNEKJLAYXESH-UHFFFAOYSA-N |
| Mol Weight | 121.15 g/mol |
| Molecular Formula | C3H7NO2S |
| Exact Mass | 121.01975 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DmR2DdxRtG4 |
|---|---|
| Name | cys;Cysteine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 121.019749641 u |
| Formula | C3H7NO2S |
| InChI | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) |
| InChIKey | XUJNEKJLAYXESH-UHFFFAOYSA-N |
| Molecular Weight | 121.154 g/mol |
| SMILES | C(=O)(C(N)CS)O |
| Spectrum/Structure Validation Score (Raman) | 0.720999 |