SpectraBase Spectrum ID |
He61XiqbamY |
Name |
4-(4-Chlorophenyl)-2-(methylthio)-6-(4-nitrophenyl)benzoic acid methyl ester |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H16ClNO4S |
InChI |
InChI=1S/C21H16ClNO4S/c1-27-21(24)20-18(14-5-9-17(10-6-14)23(25)26)11-15(12-19(20)28-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3 |
InChIKey |
GJLBJLKVXLZWPA-UHFFFAOYSA-N |
Molecular Weight |
413.875 g/mol |
SMILES |
c1(c(cc(cc1SC)-c1ccc(cc1)Cl)-c1ccc(N(=O)=O)cc1)C(=O)OC |
SPLASH |
splash10-01pk-0077900000-3332244d341ab9d69bb9 |
Source of Spectrum |
SO-0-169-2 |
Wiley ID |
875300 |