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3-benzyl-4-[(E)-hex-1-enyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID KpLOSAWurzc
InChI InChI=1S/C22H28O4/c1-4-5-6-10-13-18-15-22(20(23)25-2,21(24)26-3)16-19(18)14-17-11-8-7-9-12-17/h7-13H,4-6,14-16H2,1-3H3/b13-10+
InChIKey XMUWCZNVQJTCMD-JLHYYAGUSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bun6P112Pub
Name 3-benzyl-4-[(E)-hex-1-enyl]cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-4-5-6-10-13-18-15-22(20(23)25-2,21(24)26-3)16-19(18)14-17-11-8-7-9-12-17/h7-13H,4-6,14-16H2,1-3H3/b13-10+
InChIKey XMUWCZNVQJTCMD-JLHYYAGUSA-N
Molecular Weight 356.462 g/mol
SMILES C1(CC(Cc2ccccc2)=C(C1)\C=C\CCCC)(C(=O)OC)C(=O)OC
SPLASH splash10-0006-9002000000-256f9affba85e508de68
Source of Spectrum J-67-2846-3
Synonyms 3-[(E)-hex-1-enyl]-4-(phenylmethyl)cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester dimethyl 3-benzyl-4-[(E)-hex-1-enyl]cyclopent-3-ene-1,1-dicarboxylate dimethyl 3-[(E)-hex-1-enyl]-4-(phenylmethyl)cyclopent-3-ene-1,1-dicarboxylate
Wiley ID 1569737