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Methyl 2'-chloro-3-hydroxy-4,5-dimethylbiphenyl-2-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl 2'-chloro-3-hydroxy-4,5-dimethylbiphenyl-2-carboxylate
SpectraBase Compound ID dVM4vWoRcp
InChI InChI=1S/C16H15ClO3/c1-9-8-12(11-6-4-5-7-13(11)17)14(16(19)20-3)15(18)10(9)2/h4-8,18H,1-3H3
InChIKey OFEWRHAYFPHTKM-UHFFFAOYSA-N
Mol Weight 290.75 g/mol
Molecular Formula C16H15ClO3
Exact Mass 290.070972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GYqMdZnrzMT
Name Methyl 2'-chloro-3-hydroxy-4,5-dimethylbiphenyl-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.070972040 u
Formula C16H15ClO3
InChI InChI=1S/C16H15ClO3/c1-9-8-12(11-6-4-5-7-13(11)17)14(16(19)20-3)15(18)10(9)2/h4-8,18H,1-3H3
InChIKey OFEWRHAYFPHTKM-UHFFFAOYSA-N
SMILES C=1(C(=CC(=C(C1O)C)C)C=1C(Cl)=CC=CC1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845267