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2-(4-Methyl-1-cyclohexa-2,4-dienyl)propanedioic acid dimethyl ester
SpectraBase Compound ID KjZXIGh3VQk
InChI InChI=1S/C12H16O4/c1-8-4-6-9(7-5-8)10(11(13)15-2)12(14)16-3/h4-6,9-10H,7H2,1-3H3
InChIKey PLDZDSIJHACJCK-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hZaLkGSsMI
Name 2-(4-Methyl-1-cyclohexa-2,4-dienyl)propanedioic acid dimethyl ester
Alternate Name(s) 2-(4-Methylcyclohexa-2,4-dien-1-yl)malonic acid dimethyl ester Dimethyl 2-(4-methylcyclohexa-2,4-dien-1-yl)propanedioate
CAS Registry Number 104307-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8-4-6-9(7-5-8)10(11(13)15-2)12(14)16-3/h4-6,9-10H,7H2,1-3H3
InChIKey PLDZDSIJHACJCK-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C1C=CC(=CC1)C
SPLASH splash10-001i-0910000000-e6133d3ff364351d7d91
Source of Spectrum F-41-5768-9
Wiley ID 1224972