| SpectraBase Compound ID | Dfo7C5T5dLB |
|---|---|
| InChI | InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14) |
| InChIKey | SGMHGVVTMOGJMX-UHFFFAOYSA-N |
| Mol Weight | 217.29 g/mol |
| Molecular Formula | C12H11NOS |
| Exact Mass | 217.056135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J8TMN4eisZu |
|---|---|
| Name | 2-Mercapto-N-2-naphthylacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.056135151 u |
| Formula | C12H11NOS |
| InChI | InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14) |
| InChIKey | SGMHGVVTMOGJMX-UHFFFAOYSA-N |
| Molecular Weight | 217.286 g/mol |
| SMILES | N(C=1C=CC=2C=CC=CC2C1)C(CS)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957514 |