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3-Chlorobenzyl alcohol, heptafluorobutyrate

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

3-Chlorobenzyl alcohol, heptafluorobutyrate
SpectraBase Compound ID 7VaidsjuWNE
InChI InChI=1S/C11H6ClF7O2/c12-7-3-1-2-6(4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2
InChIKey NLNBJAOYDKGLFG-UHFFFAOYSA-N
Mol Weight 338.61 g/mol
Molecular Formula C11H6ClF7O2
Exact Mass 337.994454 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 870fORJnKga
Name 3-Chlorobenzyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.994454272 u
Formula C11H6ClF7O2
InChI InChI=1S/C11H6ClF7O2/c12-7-3-1-2-6(4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2
InChIKey NLNBJAOYDKGLFG-UHFFFAOYSA-N
Molecular Weight 338.609 g/mol
SMILES C1(=CC(=CC=C1)Cl)COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884045