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4-Hydroxy-3-chlorobiphenyl, acetate

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

4-Hydroxy-3-chlorobiphenyl, acetate
SpectraBase Compound ID L9NnUXxWPwI
InChI InChI=1S/C14H11ClO2/c1-10(16)17-14-8-7-12(9-13(14)15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey YRUSFVBLDAZJPD-UHFFFAOYSA-N
Mol Weight 246.69 g/mol
Molecular Formula C14H11ClO2
Exact Mass 246.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Urim9X2Tus
Name 4-Hydroxy-3-chlorobiphenyl, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.044757292 u
Formula C14H11ClO2
InChI InChI=1S/C14H11ClO2/c1-10(16)17-14-8-7-12(9-13(14)15)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey YRUSFVBLDAZJPD-UHFFFAOYSA-N
Molecular Weight 246.693 g/mol
SMILES C1(C2=CC=CC=C2)=CC(=C(C=C1)OC(C)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887188