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

*Links on SpectraBase are not permalinks.

Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenylpropyl ester
SpectraBase Compound ID 4ZYCLQvwpu4
InChI InChI=1S/C17H21F3O4/c1-13(17(18,19)20)24-16(22)11-5-10-15(21)23-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKey SNRUEARCIYJOJV-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C17H21F3O4
Exact Mass 346.139194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID KK1XJ4Sz966
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.139193641 u
Formula C17H21F3O4
InChI InChI=1S/C17H21F3O4/c1-13(17(18,19)20)24-16(22)11-5-10-15(21)23-12-6-9-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKey SNRUEARCIYJOJV-UHFFFAOYSA-N
Molecular Weight 346.346 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCCCC1=CC=CC=C1)=O