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3-benzyl-4-phenyl-cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID GHK6Vr04Kmr
InChI InChI=1S/C22H22O4/c1-25-20(23)22(21(24)26-2)14-18(13-16-9-5-3-6-10-16)19(15-22)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKey NMCYRAXDRCBLNN-UHFFFAOYSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48EXD33risV
Name 3-benzyl-4-phenyl-cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) 3-phenyl-4-(phenylmethyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester dimethyl 3-benzyl-4-phenyl-cyclopent-3-ene-1,1-dicarboxylate dimethyl 3-phenyl-4-(phenylmethyl)cyclopent-3-ene-1,1-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-25-20(23)22(21(24)26-2)14-18(13-16-9-5-3-6-10-16)19(15-22)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3
InChIKey NMCYRAXDRCBLNN-UHFFFAOYSA-N
Molecular Weight 350.414 g/mol
SMILES C1(=C(CC(C1)(C(=O)OC)C(=O)OC)Cc1ccccc1)c1ccccc1
SPLASH splash10-0006-0094000000-79e93c3901c65246fa71
Source of Spectrum J-67-2846-3
Wiley ID 1569595