| SpectraBase Spectrum ID |
JrQP818Wcpm |
| Name |
4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16ClFO2S |
| InChI |
InChI=1S/C21H16ClFO2S/c1-25-21(24)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)26-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3 |
| InChIKey |
LYDXRULHMKZPET-UHFFFAOYSA-N |
| Molecular Weight |
386.868 g/mol |
| SMILES |
c1(c(cc(cc1SC)-c1ccc(cc1)Cl)-c1ccc(cc1)F)C(=O)OC |
| SPLASH |
splash10-0a4r-0009000000-6408f3e06a71309534a3 |
| Source of Spectrum |
SO-0-168-2 |
| Synonyms |
methyl 4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methylsulfanylbenzoate |
| Wiley ID |
875303 |
