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Heptafluorobutyric acid, pentadecyl ester

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

Heptafluorobutyric acid, pentadecyl ester
SpectraBase Compound ID KJR3gkVujKW
InChI InChI=1S/C19H31F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-16(27)17(20,21)18(22,23)19(24,25)26/h2-15H2,1H3
InChIKey LSNYOOKRVAXMSQ-UHFFFAOYSA-N
Mol Weight 424.44 g/mol
Molecular Formula C19H31F7O2
Exact Mass 424.221227 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IFsPqYjauNP
Name Heptafluorobutyric acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.221227377 u
Formula C19H31F7O2
InChI InChI=1S/C19H31F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-16(27)17(20,21)18(22,23)19(24,25)26/h2-15H2,1H3
InChIKey LSNYOOKRVAXMSQ-UHFFFAOYSA-N
Molecular Weight 424.444 g/mol
SMILES C(C(C(=O)OCCCCCCCCCCCCCCC)(F)F)(C(F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801582