| SpectraBase Compound ID | DhHFUQCLj65 |
|---|---|
| InChI | InChI=1S/C12H7NO3S/c14-13(15)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)16-10/h1-7H |
| InChIKey | BSGUBBVCYZXNFF-UHFFFAOYSA-N |
| Mol Weight | 245.25 g/mol |
| Molecular Formula | C12H7NO3S |
| Exact Mass | 245.014664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | kw6yZSwB3a |
|---|---|
| Name | 2-Nitrophenoxathin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.014664260 u |
| Formula | C12H7NO3S |
| InChI | InChI=1S/C12H7NO3S/c14-13(15)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)16-10/h1-7H |
| InChIKey | BSGUBBVCYZXNFF-UHFFFAOYSA-N |
| Molecular Weight | 245.252 g/mol |
| SMILES | C1(N(=O)=O)=CC=C2C(=C1)SC1=C(O2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961241 |