| SpectraBase Compound ID | G5mQsJ7lTU4 |
|---|---|
| InChI | InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10) |
| InChIKey | NUFFXGAGGYWFAV-UHFFFAOYSA-N |
| Mol Weight | 151.23 g/mol |
| Molecular Formula | C8H9NS |
| Exact Mass | 151.04557 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6519qnFvIWU |
|---|---|
| Name | Benzenecarbothioamide, 3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.045570468 u |
| Formula | C8H9NS |
| InChI | InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10) |
| InChIKey | NUFFXGAGGYWFAV-UHFFFAOYSA-N |
| SMILES | NC(C1=CC(=CC=C1)C)=S |
| Spectrum/Structure Validation Score (Raman) | 0.977572 |