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3-Chlorophenethyl alcohol, heptafluorobutyrate

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

3-Chlorophenethyl alcohol, heptafluorobutyrate
SpectraBase Compound ID EeA7RlTBADZ
InChI InChI=1S/C12H8ClF7O2/c13-8-3-1-2-7(6-8)4-5-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-3,6H,4-5H2
InChIKey HWVTURHCIZMZAL-UHFFFAOYSA-N
Mol Weight 352.64 g/mol
Molecular Formula C12H8ClF7O2
Exact Mass 352.010104 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E4dqjhXqvVG
Name 3-Chlorophenethyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.010104337 u
Formula C12H8ClF7O2
InChI InChI=1S/C12H8ClF7O2/c13-8-3-1-2-7(6-8)4-5-22-9(21)10(14,15)11(16,17)12(18,19)20/h1-3,6H,4-5H2
InChIKey HWVTURHCIZMZAL-UHFFFAOYSA-N
Molecular Weight 352.636 g/mol
SMILES C1=C(C=CC=C1CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853965