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Dodecanoic acid, 2,2,2- trifluoroethyl ester

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Dodecanoic acid, 2,2,2- trifluoroethyl ester
SpectraBase Compound ID 7D8yFsWBHss
InChI InChI=1S/C14H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3
InChIKey PPTDZDMCCJUALP-UHFFFAOYSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H25F3O2
Exact Mass 282.180665 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JXjz6pCqlki
Name Dodecanoic 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 282.180664532 u
Formula C14H25F3O2
InChI InChI=1S/C14H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3
InChIKey PPTDZDMCCJUALP-UHFFFAOYSA-N
Molecular Weight 282.347 g/mol
SMILES C(CCCCCCC(=O)OCC(F)(F)F)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861369