| SpectraBase Compound ID | GKndvwG2gTq |
|---|---|
| InChI | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8) |
| InChIKey | VVNCNSJFMMFHPL-UHFFFAOYSA-N |
| Mol Weight | 149.21 g/mol |
| Molecular Formula | C5H11NO2S |
| Exact Mass | 149.05105 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6hrCE4uBazJ |
|---|---|
| Name | 3-Mercaptovaline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.051049770 u |
| Formula | C5H11NO2S |
| InChI | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8) |
| InChIKey | VVNCNSJFMMFHPL-UHFFFAOYSA-N |
| Molecular Weight | 149.208 g/mol |
| SMILES | OC(C(C(C)(S)C)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.96121 |