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4-Hydroxy-2',3,5'-trichlorobiphenyl, 2-methylpropionate

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

4-Hydroxy-2',3,5'-trichlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID 6F2vNlKiwxw
InChI InChI=1S/C16H13Cl3O2/c1-9(2)16(20)21-15-6-3-10(7-14(15)19)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3
InChIKey WXVXHBSLVOTRRL-UHFFFAOYSA-N
Mol Weight 343.64 g/mol
Molecular Formula C16H13Cl3O2
Exact Mass 341.998113 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BIk19JK2Gt9
Name 4-Hydroxy-2',3,5'-trichlorobiphenyl, 2-methylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.998112757 u
Formula C16H13Cl3O2
InChI InChI=1S/C16H13Cl3O2/c1-9(2)16(20)21-15-6-3-10(7-14(15)19)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3
InChIKey WXVXHBSLVOTRRL-UHFFFAOYSA-N
Molecular Weight 343.637 g/mol
SMILES C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=C(C=C1)OC(C(C)C)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856396