| SpectraBase Compound ID | 24OVasvponG |
|---|---|
| InChI | InChI=1S/C8H7NOS2/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10) |
| InChIKey | DPDRISYMIJDBMZ-UHFFFAOYSA-N |
| Mol Weight | 197.27 g/mol |
| Molecular Formula | C8H7NOS2 |
| Exact Mass | 196.996906 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4IoQxHdXab5 |
|---|---|
| Name | 2-Mercapto-2H-1,4-benzothiazin-3(4H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.996906196 u |
| Formula | C8H7NOS2 |
| InChI | InChI=1S/C8H7NOS2/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10) |
| InChIKey | DPDRISYMIJDBMZ-UHFFFAOYSA-N |
| Molecular Weight | 197.270 g/mol |
| SMILES | C1(SC2=CC=CC=C2NC1=O)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967873 |