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2-hexyl-3-(4-methylphenyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JAyPPHv4S5S
InChI InChI=1S/C22H30O4/c1-5-6-7-8-9-19-18(17-12-10-16(2)11-13-17)14-15-22(19,20(23)25-3)21(24)26-4/h10-14,19H,5-9,15H2,1-4H3
InChIKey VWBGZZDTPPIJOD-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AI2dAOhCvxB
Name 2-hexyl-3-(4-methylphenyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) 2-hexyl-3-(p-tolyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester dimethyl 2-hexyl-3-(4-methylphenyl)cyclopent-3-ene-1,1-dicarboxylate dimethyl 2-hexyl-3-(p-tolyl)cyclopent-3-ene-1,1-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-5-6-7-8-9-19-18(17-12-10-16(2)11-13-17)14-15-22(19,20(23)25-3)21(24)26-4/h10-14,19H,5-9,15H2,1-4H3
InChIKey VWBGZZDTPPIJOD-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES C1(=CCC(C1CCCCCC)(C(=O)OC)C(=O)OC)c1ccc(cc1)C
SPLASH splash10-052b-0096000000-a279e9539f620900eb29
Source of Spectrum J-67-2846-3
Wiley ID 1569740