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4-Chlorobenzyl alcohol, heptafluorobutyrate

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4-Chlorobenzyl alcohol, heptafluorobutyrate
SpectraBase Compound ID 65AhXfi7kLW
InChI InChI=1S/C11H6ClF7O2/c12-7-3-1-6(2-4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2
InChIKey IEZDKPJYXHQICE-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 HzTr2yKXKAS
Name 4-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/c12-7-3-1-6(2-4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2
InChIKey IEZDKPJYXHQICE-UHFFFAOYSA-N
Molecular Weight 338.609 g/mol
SMILES C1=CC(=CC=C1COC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848076