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

*Links on SpectraBase are not permalinks.
Ethyl 4,4,4-trifluoro-2-hydroxy-2-(2-benzyloxy-2-phenylethyl)butanoate isomer
SpectraBase Compound ID 9WnB2Iwq2PX
InChI InChI=1S/C21H23F3O4/c1-2-27-19(25)20(26,15-21(22,23)24)13-18(17-11-7-4-8-12-17)28-14-16-9-5-3-6-10-16/h3-12,18,26H,2,13-15H2,1H3
InChIKey XQFGTKLSQPYVJD-UHFFFAOYSA-N
Mol Weight 396.41 g/mol
Molecular Formula C21H23F3O4
Exact Mass 396.154844 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 GlCFCiJw1Jp
Name Ethyl 4,4,4-trifluoro-2-hydroxy-2-(2-benzyloxy-2-phenylethyl)butanoate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F3O4
InChI InChI=1S/C21H23F3O4/c1-2-27-19(25)20(26,15-21(22,23)24)13-18(17-11-7-4-8-12-17)28-14-16-9-5-3-6-10-16/h3-12,18,26H,2,13-15H2,1H3
InChIKey XQFGTKLSQPYVJD-UHFFFAOYSA-N
Molecular Weight 396.406 g/mol
SMILES OC(CC(F)(F)F)(CC(OCc1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-000i-0930000000-e56a3c7f4fcdfed99daa
Source of Spectrum KC-61-10211-32
Synonyms Ethyl 4,4,4-trifluoro-2-hydroxy-2-(2-benzyloxy-2-phenylethyl)butanoate Ethyl 2-[2-(benzyloxy)-2-phenylethyl]-4,4,4-trifluoro-2-hydroxybutanoate
Wiley ID 1630874