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4-Hydroxy-2,2',5'-trichlorobiphenyl, trimethylacetate

View entire compound with spectra: 1 FTIR

4-Hydroxy-2,2',5'-trichlorobiphenyl, trimethylacetate
SpectraBase Compound ID HuQR5sZaclO
InChI InChI=1S/C17H15Cl3O2/c1-17(2,3)16(21)22-11-5-6-12(15(20)9-11)13-8-10(18)4-7-14(13)19/h4-9H,1-3H3
InChIKey STXCLTVGSOHWEM-UHFFFAOYSA-N
Mol Weight 357.66 g/mol
Molecular Formula C17H15Cl3O2
Exact Mass 356.013763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Oh0E1YQEUZ
Name 4-Hydroxy-2,2',5'-trichlorobiphenyl, trimethylacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.013762821 u
Formula C17H15Cl3O2
InChI InChI=1S/C17H15Cl3O2/c1-17(2,3)16(21)22-11-5-6-12(15(20)9-11)13-8-10(18)4-7-14(13)19/h4-9H,1-3H3
InChIKey STXCLTVGSOHWEM-UHFFFAOYSA-N
Molecular Weight 357.664 g/mol
SMILES C1(C2=C(C=CC(=C2)Cl)Cl)=C(C=C(C=C1)OC(C(C)(C)C)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842069