| SpectraBase Spectrum ID |
JPcvm8iGcPx |
| Name |
Methyl 3-(4-chlorophenylsulfonyl)-6-hydroxy-2-methylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.017222388 u |
| Formula |
C15H13ClO5S |
| InChI |
InChI=1S/C15H13ClO5S/c1-9-13(8-7-12(17)14(9)15(18)21-2)22(19,20)11-5-3-10(16)4-6-11/h3-8,17H,1-2H3 |
| InChIKey |
YOERIAUXVXCWCZ-UHFFFAOYSA-N |
| Molecular Weight |
340.777 g/mol |
| SMILES |
C1(S(C=2C=CC(=CC2)Cl)(=O)=O)=C(C(C(=O)OC)=C(C=C1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960677 |
