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2-Hydroxy-2',5,5'-trichlorobiphenyl, acetate
SpectraBase Compound ID 9YuP21ZqrXE
InChI InChI=1S/C14H9Cl3O2/c1-8(18)19-14-5-3-10(16)7-12(14)11-6-9(15)2-4-13(11)17/h2-7H,1H3
InChIKey MURGNMOZQRYBDZ-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 AuOlP0eKQjH
Name 2-Hydroxy-2',5,5'-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)19-14-5-3-10(16)7-12(14)11-6-9(15)2-4-13(11)17/h2-7H,1H3
InChIKey MURGNMOZQRYBDZ-UHFFFAOYSA-N
Molecular Weight 315.583 g/mol
SMILES C1(C2=C(C=CC(=C2)Cl)Cl)=C(C=CC(=C1)Cl)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862764