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4-Hydroxy-2',4',6'-trichlorobiphenyl, acetate

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

4-Hydroxy-2',4',6'-trichlorobiphenyl, acetate
SpectraBase Compound ID CTEQZUSkLmc
InChI InChI=1S/C14H9Cl3O2/c1-8(18)19-11-4-2-9(3-5-11)14-12(16)6-10(15)7-13(14)17/h2-7H,1H3
InChIKey ZJWKSJOCYPPHNF-UHFFFAOYSA-N
Mol Weight 315.58 g/mol
Molecular Formula C14H9Cl3O2
Exact Mass 313.966813 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmWsu8b9LhC
Name 4-Hydroxy-2',4',6'-trichlorobiphenyl, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.966812628 u
Formula C14H9Cl3O2
InChI InChI=1S/C14H9Cl3O2/c1-8(18)19-11-4-2-9(3-5-11)14-12(16)6-10(15)7-13(14)17/h2-7H,1H3
InChIKey ZJWKSJOCYPPHNF-UHFFFAOYSA-N
Molecular Weight 315.583 g/mol
SMILES C1(C2=C(C=C(C=C2Cl)Cl)Cl)=CC=C(C=C1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809107