| SpectraBase Compound ID | LzIE2Jwy52 |
|---|---|
| InChI | InChI=1S/C10H9NS/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 |
| InChIKey | PBRBGUUOYSTUHP-UHFFFAOYSA-N |
| Mol Weight | 175.25 g/mol |
| Molecular Formula | C10H9NS |
| Exact Mass | 175.04557 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 74PiYCcFcE4 |
|---|---|
| Name | 1-Methylthiocarbostyril |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.045570468 u |
| Formula | C10H9NS |
| InChI | InChI=1S/C10H9NS/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3 |
| InChIKey | PBRBGUUOYSTUHP-UHFFFAOYSA-N |
| Molecular Weight | 175.249 g/mol |
| SMILES | C=12C=CC=CC1N(C(C=C2)=S)C |
| Spectrum/Structure Validation Score (Raman) | 0.839424 |