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Octadecanoic acid, 2,2,2- trifluoroethyl ester

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

Octadecanoic acid, 2,2,2- trifluoroethyl ester
SpectraBase Compound ID 7Xb5B4uspdB
InChI InChI=1S/C20H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h2-18H2,1H3
InChIKey LUCFOTSFIDOKNU-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C20H37F3O2
Exact Mass 366.274565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vY2vsOMwfs
Name Octadecanoic 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 366.274564918 u
Formula C20H37F3O2
InChI InChI=1S/C20H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h2-18H2,1H3
InChIKey LUCFOTSFIDOKNU-UHFFFAOYSA-N
Molecular Weight 366.509 g/mol
SMILES C(CCCCCCCCCCCCC(OCC(F)(F)F)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897009