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2-Hydroxy-2',5'-dichlorobiphenyl, 2-methylpropionate
SpectraBase Compound ID A4MTVV0XoN8
InChI InChI=1S/C16H14Cl2O2/c1-10(2)16(19)20-15-6-4-3-5-12(15)13-9-11(17)7-8-14(13)18/h3-10H,1-2H3
InChIKey ROCFAVXCDINGQA-UHFFFAOYSA-N
Mol Weight 309.19 g/mol
Molecular Formula C16H14Cl2O2
Exact Mass 308.037085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID svhoVUTIOg
Name 2-Hydroxy-2',5'-dichlorobiphenyl, 2-methylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.037085089 u
Formula C16H14Cl2O2
InChI InChI=1S/C16H14Cl2O2/c1-10(2)16(19)20-15-6-4-3-5-12(15)13-9-11(17)7-8-14(13)18/h3-10H,1-2H3
InChIKey ROCFAVXCDINGQA-UHFFFAOYSA-N
Molecular Weight 309.192 g/mol
SMILES C1(C2=C(C=CC(=C2)Cl)Cl)=C(C=CC=C1)OC(C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957533