| SpectraBase Compound ID | HhLXgjAFrXu |
|---|---|
| InChI | InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3 |
| InChIKey | IXGURTAEYOZRDF-UHFFFAOYSA-N |
| Mol Weight | 187.21 g/mol |
| Molecular Formula | C7H9NO3S |
| Exact Mass | 187.030314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3BaveS2Y28m |
|---|---|
| Name | Phenol, 2-amino-5-(methylsulfonyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.030314325 u |
| Formula | C7H9NO3S |
| InChI | InChI=1S/C7H9NO3S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3 |
| InChIKey | IXGURTAEYOZRDF-UHFFFAOYSA-N |
| Molecular Weight | 187.213 g/mol |
| SMILES | CS(=O)(=O)C1=CC=C(N)C(O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90226 |