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2-benzyl-2-[(Z)-1-methylenehept-2-enyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EfEng53IvNP
InChI InChI=1S/C22H28O4/c1-5-6-7-9-12-17(2)21(15-18-13-10-8-11-14-18)16-22(21,19(23)25-3)20(24)26-4/h8-14H,2,5-7,15-16H2,1,3-4H3/b12-9-
InChIKey NSWCYFZNWGDPIY-XFXZXTDPSA-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 IcxX2PGnPag
Name 2-benzyl-2-[(Z)-1-methylenehept-2-enyl]cyclopropane-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) 2-[(3Z)-octa-1,3-dien-2-yl]-2-(phenylmethyl)cyclopropane-1,1-dicarboxylic acid dimethyl ester dimethyl 2-benzyl-2-[(3Z)-octa-1,3-dien-2-yl]cyclopropane-1,1-dicarboxylate dimethyl 2-benzyl-2-[(Z)-1-methylenehept-2-enyl]cyclopropane-1,1-dicarboxylate dimethyl 2-[(3Z)-octa-1,3-dien-2-yl]-2-(phenylmethyl)cyclopropane-1,1-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-5-6-7-9-12-17(2)21(15-18-13-10-8-11-14-18)16-22(21,19(23)25-3)20(24)26-4/h8-14H,2,5-7,15-16H2,1,3-4H3/b12-9-
InChIKey NSWCYFZNWGDPIY-XFXZXTDPSA-N
Molecular Weight 356.462 g/mol
SMILES C1(C(C(\C=C/CCCC)=C)(Cc2ccccc2)C1)(C(=O)OC)C(=O)OC
SPLASH splash10-0006-9000000000-f8fa7ceb722c506de1de
Source of Spectrum J-67-2844-2
Wiley ID 1569612