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Glutaric acid, 1,1,1-trifluoroprop-2-yl phenethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, 1,1,1-trifluoroprop-2-yl phenethyl ester
SpectraBase Compound ID 42flPbK04qt
InChI InChI=1S/C16H19F3O4/c1-12(16(17,18)19)23-15(21)9-5-8-14(20)22-11-10-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKey PZSTVKKKTSWJAT-UHFFFAOYSA-N
Mol Weight 332.32 g/mol
Molecular Formula C16H19F3O4
Exact Mass 332.123544 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LGqOpvGmNEh
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.123543577 u
Formula C16H19F3O4
InChI InChI=1S/C16H19F3O4/c1-12(16(17,18)19)23-15(21)9-5-8-14(20)22-11-10-13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11H2,1H3
InChIKey PZSTVKKKTSWJAT-UHFFFAOYSA-N
Molecular Weight 332.319 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8287