| SpectraBase Spectrum ID |
80zDKneNhuS |
| Name |
Methyl 4'-chloro-5-(4-chlorophenylsulfonyl)-2-hydroxy-4-methylbiphenyl-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.009550184 u |
| Formula |
C21H16Cl2O5S |
| InChI |
InChI=1S/C21H16Cl2O5S/c1-12-18(29(26,27)16-9-7-15(23)8-10-16)11-17(13-3-5-14(22)6-4-13)20(24)19(12)21(25)28-2/h3-11,24H,1-2H3 |
| InChIKey |
BTQKQCLGXWIBMX-UHFFFAOYSA-N |
| Molecular Weight |
451.320 g/mol |
| SMILES |
C1(S(C=2C=CC(=CC2)Cl)(=O)=O)=C(C(C(=O)OC)=C(C(=C1)C1=CC=C(C=C1)Cl)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836891 |
