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1,4-Cyclohexadiene-1-carboxylic acid, 5-acetyl-4-hydroxy-6-phenyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

1,4-Cyclohexadiene-1-carboxylic acid, 5-acetyl-4-hydroxy-6-phenyl-, methyl ester
SpectraBase Compound ID 1TpXjl0En16
InChI InChI=1S/C16H16O4/c1-10(17)14-13(18)9-8-12(16(19)20-2)15(14)11-6-4-3-5-7-11/h3-8,15,18H,9H2,1-2H3
InChIKey DQOQQIBPAULVHS-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 27wnmLeNBCj
Name 1,4-Cyclohexadiene-1-carboxylic acid, 5-acetyl-4-hydroxy-6-phenyl-, methyl ester
Alternate Name(s) Methyl 2-phenyl-3-acetyl-4-hydroxy-2,5-dihydrobenzoate Methyl 5-acetyl-4-hydroxy-6-phenyl-1,4-cyclohexadiene-1-carboxylate
CAS Registry Number 85556-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-10(17)14-13(18)9-8-12(16(19)20-2)15(14)11-6-4-3-5-7-11/h3-8,15,18H,9H2,1-2H3
InChIKey DQOQQIBPAULVHS-UHFFFAOYSA-N
Molecular Weight 272.300 g/mol
SMILES OC1=C(C(C(C(=O)OC)=CC1)c1ccccc1)C(=O)C
SPLASH splash10-00di-0590000000-9cc47abfbc079fe5745b
Source of Spectrum AJ-57-3227-6
Wiley ID 1276279