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Methyl 6-(2'-chloro-6'-fluorophenyl)-4-methylcyclohexa-1,4-diene-1-carboxylate
SpectraBase Compound ID 1pfeSJcsO2u
InChI InChI=1S/C15H14ClFO2/c1-9-6-7-10(15(18)19-2)11(8-9)14-12(16)4-3-5-13(14)17/h3-5,7-8,11H,6H2,1-2H3
InChIKey RDIAUEBVWLONHN-UHFFFAOYSA-N
Mol Weight 280.73 g/mol
Molecular Formula C15H14ClFO2
Exact Mass 280.066636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDXNWIWEv8h
Name Methyl 6-(2'-chloro-6'-fluorophenyl)-4-methylcyclohexa-1,4-diene-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14ClFO2
InChI InChI=1S/C15H14ClFO2/c1-9-6-7-10(15(18)19-2)11(8-9)14-12(16)4-3-5-13(14)17/h3-5,7-8,11H,6H2,1-2H3
InChIKey RDIAUEBVWLONHN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301203k
Molecular Weight 280.726 g/mol
SMILES c1c(c(C2C=C(CC=C2C(=O)OC)C)c(cc1)Cl)F
SPLASH splash10-01c1-2960000000-81230e466ebea58cb463
Source of Spectrum J-77-7929-6f
Synonyms Methyl 2'-chloro-6'-fluoro-5-methyl-1,4-dihydro-[1,1'-biphenyl]-2-carboxylate 6-(2-Chloro-6-fluorophenyl)-4-methyl-1-cyclohexa-1,4-dienecarboxylic acid methyl ester Methyl 6-(2-chloro-6-fluorophenyl)-4-methylcyclohexa-1,4-diene-1-carboxylate Methyl 6-(2-chloro-6-fluoro-phenyl)-4-methyl-cyclohexa-1,4-diene-1-carboxylate Methyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-cyclohexa-1,4-diene-1-carboxylate
Wiley ID 1746995