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Pentadecanoic acid, 2,2,2- trifluoroethyl ester

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

Pentadecanoic acid, 2,2,2- trifluoroethyl ester
SpectraBase Compound ID E4Q1aUrK1Rn
InChI InChI=1S/C17H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)22-15-17(18,19)20/h2-15H2,1H3
InChIKey DUIXDULMJXPKCI-UHFFFAOYSA-N
Mol Weight 324.43 g/mol
Molecular Formula C17H31F3O2
Exact Mass 324.227615 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5zqiyw0ADpZ
Name Pentadecanoic acid, 2,2,2- trifluoroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.227614725 u
Formula C17H31F3O2
InChI InChI=1S/C17H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)22-15-17(18,19)20/h2-15H2,1H3
InChIKey DUIXDULMJXPKCI-UHFFFAOYSA-N
Molecular Weight 324.428 g/mol
SMILES C(CCCCCCC(=O)OCC(F)(F)F)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81687