| SpectraBase Compound ID | BOFssIvmfB8 |
|---|---|
| InChI | InChI=1S/C8H6N2OS/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10) |
| InChIKey | GREDHPLKDSOPMQ-UHFFFAOYSA-N |
| Mol Weight | 178.21 g/mol |
| Molecular Formula | C8H6N2OS |
| Exact Mass | 178.020084 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8kBkrUsja6e |
|---|---|
| Name | 2-Amino-4H-3,1-benzothiazin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.020083994 u |
| Formula | C8H6N2OS |
| InChI | InChI=1S/C8H6N2OS/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10) |
| InChIKey | GREDHPLKDSOPMQ-UHFFFAOYSA-N |
| Molecular Weight | 178.209 g/mol |
| SMILES | C=1(SC(C2=C(N1)C=CC=C2)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934073 |