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2-Methyl-3-phenyl-cyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 3WtAXmmcSgn
InChI InChI=1S/C17H20O4/c1-12-14(13-8-5-4-6-9-13)10-7-11-17(12,15(18)20-2)16(19)21-3/h4-6,8-10,12H,7,11H2,1-3H3
InChIKey PNRDAFMLEPJRPO-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1wSXkPuRLl
Name 2-Methyl-3-phenyl-cyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester
CAS Registry Number 112519-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-12-14(13-8-5-4-6-9-13)10-7-11-17(12,15(18)20-2)16(19)21-3/h4-6,8-10,12H,7,11H2,1-3H3
InChIKey PNRDAFMLEPJRPO-UHFFFAOYSA-N
Molecular Weight 288.343 g/mol
SMILES C1(C(C(c2ccccc2)=CCC1)C)(C(=O)OC)C(=O)OC
SPLASH splash10-016r-2960000000-b706bd1f0c77b50b2931
Source of Spectrum F-44-5830-17
Synonyms Dimethyl 2-methyl-3-phenyl-3-cyclohexene-1,1-dicarboxylate Dimethyl 2-methyl-3-phenyl-cyclohex-3-ene-1,1-dicarboxylate 2-Methyl-3-phenylcyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester
Wiley ID 1291825