| SpectraBase Compound ID | AK0kynwGDbI |
|---|---|
| InChI | InChI=1S/C10H13NOS/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3 |
| InChIKey | GUJNMKIJMDLEPG-UHFFFAOYSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C10H13NOS |
| Exact Mass | 195.071785 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Cpx2mDE71mU |
|---|---|
| Name | Dimethylthiocarbamic acid, S-p-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.071785216 u |
| Formula | C10H13NOS |
| InChI | InChI=1S/C10H13NOS/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3 |
| InChIKey | GUJNMKIJMDLEPG-UHFFFAOYSA-N |
| Molecular Weight | 195.280 g/mol |
| SMILES | C=1C(=CC=C(C1)C)SC(N(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.977047 |