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1,3-Cyclohexadiene-1-carboxylic acid, 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-, methyl ester
SpectraBase Compound ID At0Zu37nZbL
InChI InChI=1S/C16H16O4/c1-10-8-9-12(15(19)20-3)16(2,14(10)18)11-6-4-5-7-13(11)17/h4-9,17H,1-3H3
InChIKey TYMSLJGRPUNYIN-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3o4xDQCTKF
Name 1,3-Cyclohexadiene-1-carboxylic acid, 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-, methyl ester
CAS Registry Number 40801-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-10-8-9-12(15(19)20-3)16(2,14(10)18)11-6-4-5-7-13(11)17/h4-9,17H,1-3H3
InChIKey TYMSLJGRPUNYIN-UHFFFAOYSA-N
Molecular Weight 272.300 g/mol
SMILES Oc1ccccc1C1(C)C(=CC=C(C)C1=O)C(=O)OC
SPLASH splash10-03di-3690000000-8a650ca3ce85c693fb33
Source of Spectrum B-26-1108-19
Synonyms Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylate 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-1-cyclohexa-1,3-dienecarboxylic acid methyl ester 6-(2-hydroxyphenyl)-5-keto-4,6-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid methyl ester Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-cyclohexa-1,3-diene-1-carboxylate
Wiley ID 1276247