| SpectraBase Compound ID | RclEbDiBtq |
|---|---|
| InChI | InChI=1S/C12H7NO5S/c14-13(15)8-5-6-10-12(7-8)19(16,17)11-4-2-1-3-9(11)18-10/h1-7H |
| InChIKey | DURHLDOYVCSYMF-UHFFFAOYSA-N |
| Mol Weight | 277.25 g/mol |
| Molecular Formula | C12H7NO5S |
| Exact Mass | 277.004493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2fnGKDavsnn |
|---|---|
| Name | 2-Nitrophenoxathiin-10,10-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.004493498 u |
| Formula | C12H7NO5S |
| InChI | InChI=1S/C12H7NO5S/c14-13(15)8-5-6-10-12(7-8)19(16,17)11-4-2-1-3-9(11)18-10/h1-7H |
| InChIKey | DURHLDOYVCSYMF-UHFFFAOYSA-N |
| SMILES | C1=CC=2S(=O)(=O)C3=CC(N(=O)=O)=CC=C3OC2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962522 |