| SpectraBase Compound ID | 9RinlLEl8xG |
|---|---|
| InChI | InChI=1S/C9H9NS2/c1-10-6-7-4-2-3-5-8(7)12-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | ZEPLOAVJYVHRDP-UHFFFAOYSA-N |
| Mol Weight | 195.3 g/mol |
| Molecular Formula | C9H9NS2 |
| Exact Mass | 195.017642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H0gkzcp8ioZ |
|---|---|
| Name | 3-Methyl-3,4-dihydro-1,3-benzothiazin-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.017641642 u |
| Formula | C9H9NS2 |
| InChI | InChI=1S/C9H9NS2/c1-10-6-7-4-2-3-5-8(7)12-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | ZEPLOAVJYVHRDP-UHFFFAOYSA-N |
| Molecular Weight | 195.298 g/mol |
| SMILES | C1(SC2=CC=CC=C2CN1C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938484 |