| SpectraBase Spectrum ID |
KXWBNEGnrxU |
| Name |
Methyl 6-hydroxy-2-methyl-3-(phenylsulfonyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.056194720 u |
| Formula |
C15H14O5S |
| InChI |
InChI=1S/C15H14O5S/c1-10-13(9-8-12(16)14(10)15(17)20-2)21(18,19)11-6-4-3-5-7-11/h3-9,16H,1-2H3 |
| InChIKey |
YKAFWISDLWVWAN-UHFFFAOYSA-N |
| Molecular Weight |
306.332 g/mol |
| SMILES |
C1(S(=O)(=O)C=2C=CC=CC2)=C(C(C(=O)OC)=C(C=C1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826652 |
