![[(o-Nitrophenyl)sulfonyl]acetic acid](/api/spectrum/J0qlPJci84S/structure.png?h=300&w=458 "[(o-Nitrophenyl)sulfonyl]acetic acid")
| SpectraBase Compound ID | 2OMHXaj6Mvx |
|---|---|
| InChI | InChI=1S/C8H7NO6S/c10-8(11)5-16(14,15)7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | MWXQLKQDSAWKFW-UHFFFAOYSA-N |
| Mol Weight | 245.2 g/mol |
| Molecular Formula | C8H7NO6S |
| Exact Mass | 244.999408 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J0qlPJci84S |
|---|---|
| Name | [(o-Nitrophenyl)sulfonyl]acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.999408117 u |
| Formula | C8H7NO6S |
| InChI | InChI=1S/C8H7NO6S/c10-8(11)5-16(14,15)7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11) |
| InChIKey | MWXQLKQDSAWKFW-UHFFFAOYSA-N |
| Molecular Weight | 245.205 g/mol |
| SMILES | OC(CS(C1=CC=CC=C1N(=O)=O)(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9679 |