| SpectraBase Compound ID | 6HWVIGdoi0s |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | QOBYRYJXNXTWJK-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 63btRr8zLrR |
|---|---|
| Name | Dimethylthiocarbamic acid, S-phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | QOBYRYJXNXTWJK-UHFFFAOYSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | CN(C(SC=1C=CC=CC1)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.950749 |