| SpectraBase Compound ID | 2ETzo38inR3 |
|---|---|
| InChI | InChI=1S/C8H7NO4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h2-6H,1H2 |
| InChIKey | MZKZSNKRTIDCRI-UHFFFAOYSA-N |
| Mol Weight | 213.21 g/mol |
| Molecular Formula | C8H7NO4S |
| Exact Mass | 213.009579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Z1pU6avJ1A |
|---|---|
| Name | Benzene, 1-(ethenylsulfonyl)-4-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.009578879 u |
| Formula | C8H7NO4S |
| InChI | InChI=1S/C8H7NO4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h2-6H,1H2 |
| InChIKey | MZKZSNKRTIDCRI-UHFFFAOYSA-N |
| Molecular Weight | 213.207 g/mol |
| SMILES | C=CS(=O)(=O)C1=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8756 |