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Dimethyl 1-hydroxy-2-acetyl-3-phenylcyclohexene-4,5-dicarboxylate
SpectraBase Compound ID FfMfHNGmCqu
InChI InChI=1S/C18H20O6/c1-10(19)14-13(20)9-12(17(21)23-2)16(18(22)24-3)15(14)11-7-5-4-6-8-11/h4-8,12,15-16,20H,9H2,1-3H3
InChIKey OHOMJYCMEWZXJS-UHFFFAOYSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaKUs4mGbXI
Name Dimethyl 1-hydroxy-2-acetyl-3-phenylcyclohexene-4,5-dicarboxylate
Alternate Name(s) Dimethyl 4-acetyl-5-hydroxy-3-phenyl-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 95588-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-10(19)14-13(20)9-12(17(21)23-2)16(18(22)24-3)15(14)11-7-5-4-6-8-11/h4-8,12,15-16,20H,9H2,1-3H3
InChIKey OHOMJYCMEWZXJS-UHFFFAOYSA-N
Molecular Weight 332.352 g/mol
SMILES OC1=C(C(C(C(C(=O)OC)C1)C(=O)OC)c1ccccc1)C(=O)C
SPLASH splash10-000f-6195000000-f3683450a05c1b85323c
Source of Spectrum AJ-57-3231-25
Wiley ID 1329354