| SpectraBase Compound ID | CbIAPWIkrZF |
|---|---|
| InChI | InChI=1S/C10H10N2OS/c11-6-9(10(12)13)14-7-8-4-2-1-3-5-8/h1-5,9H,7H2,(H2,12,13) |
| InChIKey | RPZLSXQJQOVLDO-UHFFFAOYSA-N |
| Mol Weight | 206.26 g/mol |
| Molecular Formula | C10H10N2OS |
| Exact Mass | 206.051384 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3XvrYG0EqwE |
|---|---|
| Name | 2-(Benzylthio)-2-cyanoacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.051384123 u |
| Formula | C10H10N2OS |
| InChI | InChI=1S/C10H10N2OS/c11-6-9(10(12)13)14-7-8-4-2-1-3-5-8/h1-5,9H,7H2,(H2,12,13) |
| InChIKey | RPZLSXQJQOVLDO-UHFFFAOYSA-N |
| Molecular Weight | 206.263 g/mol |
| SMILES | NC(C(SCC=1C=CC=CC1)C#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.8749 |