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1,3-Cyclohexadiene-1-carboxylic acid, 6-[2-(acetyloxy)phenyl]-4,6-dimethyl-5-oxo-, methyl ester
SpectraBase Compound ID 5tY8EYYdeET
InChI InChI=1S/C18H18O5/c1-11-9-10-14(17(21)22-4)18(3,16(11)20)13-7-5-6-8-15(13)23-12(2)19/h5-10H,1-4H3
InChIKey PHOMRWLFISONIP-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFA2weNM234
Name 1,3-Cyclohexadiene-1-carboxylic acid, 6-[2-(acetyloxy)phenyl]-4,6-dimethyl-5-oxo-, methyl ester
CAS Registry Number 40801-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-11-9-10-14(17(21)22-4)18(3,16(11)20)13-7-5-6-8-15(13)23-12(2)19/h5-10H,1-4H3
InChIKey PHOMRWLFISONIP-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES CC1=CC=C(C(=O)OC)C(C)(c2ccccc2OC(C)=O)C1=O
SPLASH splash10-03dl-1491000000-6d067139ede35e8810e6
Source of Spectrum B-26-1108-21
Synonyms Methyl 6-[2-(acetyloxy)phenyl]-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylate 6-(2-acetoxyphenyl)-5-keto-4,6-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid methyl ester 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxo-1-cyclohexa-1,3-dienecarboxylic acid methyl ester Methyl 6-(2-acetoxyphenyl)-4,6-dimethyl-5-oxo-cyclohexa-1,3-diene-1-carboxylate Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Methyl 6-(2-acetyloxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
Wiley ID 1315082