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(3E)-3-benzal-4-[(E)-4-ethoxy-4-keto-but-2-enyl]cyclopentane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 6yn6OhInrJt
InChI InChI=1S/C22H26O6/c1-4-28-19(23)12-8-11-17-14-22(20(24)26-2,21(25)27-3)15-18(17)13-16-9-6-5-7-10-16/h5-10,12-13,17H,4,11,14-15H2,1-3H3/b12-8+,18-13+
InChIKey VTLCPWRNPRNMKG-NQSLGWDZSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16qsPL2eCFv
Name (3E)-3-benzal-4-[(E)-4-ethoxy-4-keto-but-2-enyl]cyclopentane-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) (4E)-3-[(E)-4-ethoxy-4-oxobut-2-enyl]-4-(phenylmethylene)cyclopentane-1,1-dicarboxylic acid dimethyl ester Dimethyl (3E)-3-benzylidene-4-[(E)-4-ethoxy-4-oxo-but-2-enyl]cyclopentane-1,1-dicarboxylate Dimethyl (4E)-3-[(E)-4-ethoxy-4-oxidanylidene-but-2-enyl]-4-(phenylmethylidene)cyclopentane-1,1-dicarboxylate
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Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-4-28-19(23)12-8-11-17-14-22(20(24)26-2,21(25)27-3)15-18(17)13-16-9-6-5-7-10-16/h5-10,12-13,17H,4,11,14-15H2,1-3H3/b12-8+,18-13+
InChIKey VTLCPWRNPRNMKG-NQSLGWDZSA-N
Molecular Weight 386.444 g/mol
SMILES C1(C\C(=C/c2ccccc2)C(C1)C\C=C\C(=O)OCC)(C(=O)OC)C(=O)OC
SPLASH splash10-03du-1394000000-76a0d7da19e40d3c9df7
Source of Spectrum HE-2004-658-4
Wiley ID 1581671