For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4,5-diphenyl-2-thienyl)propionate
SpectraBase Compound ID AYfTLCLI6k6
InChI InChI=1S/C21H17F3O3S/c1-13-16(14-9-5-3-6-10-14)17(15-11-7-4-8-12-15)28-18(13)20(26,19(25)27-2)21(22,23)24/h3-12,26H,1-2H3
InChIKey QIJYUTZHYXXVQC-UHFFFAOYSA-N
Mol Weight 406.42 g/mol
Molecular Formula C21H17F3O3S
Exact Mass 406.08505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DOERGh372Ds
Name METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-(3-METHYL-4,5-DIPHENYL-2-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H17F3O3S
InChI InChI=1S/C21H17F3O3S/c1-13-16(14-9-5-3-6-10-14)17(15-11-7-4-8-12-15)28-18(13)20(26,19(25)27-2)21(22,23)24/h3-12,26H,1-2H3
InChIKey QIJYUTZHYXXVQC-UHFFFAOYSA-N
Molecular Weight 406.0846
SMILES OC(C(OC)=O)(C(F)(F)F)c1sc(-c2ccccc2)c(-c2ccccc2)c1C
SPLASH splash10-0pdi-9481000000-6d56a280ab701cad0858
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany