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4-Hydroxy-3-chlorobiphenyl, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

4-Hydroxy-3-chlorobiphenyl, heptafluorobutyrate
SpectraBase Compound ID GMGxUABDsTi
InChI InChI=1S/C16H8ClF7O2/c17-11-8-10(9-4-2-1-3-5-9)6-7-12(11)26-13(25)14(18,19)15(20,21)16(22,23)24/h1-8H
InChIKey AADLVQBJZSPUMJ-UHFFFAOYSA-N
Mol Weight 400.68 g/mol
Molecular Formula C16H8ClF7O2
Exact Mass 400.010104 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I4ienmkWAsu
Name 4-Hydroxy-3-chlorobiphenyl, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.010104337 u
Formula C16H8ClF7O2
InChI InChI=1S/C16H8ClF7O2/c17-11-8-10(9-4-2-1-3-5-9)6-7-12(11)26-13(25)14(18,19)15(20,21)16(22,23)24/h1-8H
InChIKey AADLVQBJZSPUMJ-UHFFFAOYSA-N
Molecular Weight 400.680 g/mol
SMILES C1(C2=CC=CC=C2)=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91228