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4-Benzylphenol, heptafluorobutyrate

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

4-Benzylphenol, heptafluorobutyrate
SpectraBase Compound ID R4boMeFWQP
InChI InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)14(25)26-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey KWGTUUJYHFCRQD-UHFFFAOYSA-N
Mol Weight 380.26 g/mol
Molecular Formula C17H11F7O2
Exact Mass 380.064727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JbCQqPbDKFB
Name 4-Benzylphenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.064726733 u
Formula C17H11F7O2
InChI InChI=1S/C17H11F7O2/c18-15(19,16(20,21)17(22,23)24)14(25)26-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey KWGTUUJYHFCRQD-UHFFFAOYSA-N
Molecular Weight 380.262 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943776