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2,3,6-Trifluorobenzyl alcohol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

2,3,6-Trifluorobenzyl alcohol, heptafluorobutyrate
SpectraBase Compound ID 8vhM5lFoCiP
InChI InChI=1S/C11H4F10O2/c12-5-1-2-6(13)7(14)4(5)3-23-8(22)9(15,16)10(17,18)11(19,20)21/h1-2H,3H2
InChIKey JTCNUAFMGMPKKW-UHFFFAOYSA-N
Mol Weight 358.14 g/mol
Molecular Formula C11H4F10O2
Exact Mass 358.005161 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JwVvv8Gi5r
Name 2,3,6-Trifluorobenzyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.005160997 u
Formula C11H4F10O2
InChI InChI=1S/C11H4F10O2/c12-5-1-2-6(13)7(14)4(5)3-23-8(22)9(15,16)10(17,18)11(19,20)21/h1-2H,3H2
InChIKey JTCNUAFMGMPKKW-UHFFFAOYSA-N
Molecular Weight 358.135 g/mol
SMILES C1(=C(C(=CC=C1F)F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803654