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3-(E)-Benzylidene-5,5-bis(methoxycarbonyl)-1-(2',2'-bis(methoxycarbonyl)-5'-phenyl-4'(E)-pentenyl)cyclohexene
SpectraBase Compound ID CzxNxD6kc0q
InChI InChI=1S/C32H34O8/c1-37-27(33)31(28(34)38-2,17-11-16-23-12-7-5-8-13-23)21-26-19-25(18-24-14-9-6-10-15-24)20-32(22-26,29(35)39-3)30(36)40-4/h5-16,18-19H,17,20-22H2,1-4H3/b16-11+,25-18-
InChIKey PPEKODNPGRWDRD-ARPSJZOASA-N
Mol Weight 546.6 g/mol
Molecular Formula C32H34O8
Exact Mass 546.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMgOhiyrx0l
Name 3-(E)-Benzylidene-5,5-bis(methoxycarbonyl)-1-(2',2'-bis(methoxycarbonyl)-5'-phenyl-4'(E)-pentenyl)cyclohexene
Alternate Name(s) (5E)-3-[(E)-2,2-bis(methoxycarbonyl)-5-phenylpent-4-enyl]-5-(phenylmethylene)cyclohex-3-ene-1,1-dicarboxylic acid dimethyl ester dimethyl (5E)-5-benzylidene-3-[(E)-2,2-bis(methoxycarbonyl)-5-phenylpent-4-enyl]cyclohex-3-ene-1,1-dicarboxylate dimethyl (5E)-5-benzylidene-3-[(E)-2,2-bis(methoxycarbonyl)-5-phenyl-pent-4-enyl]cyclohex-3-ene-1,1-dicarboxylate dimethyl (5E)-3-[(E)-2,2-bis(methoxycarbonyl)-5-phenyl-pent-4-enyl]-5-(phenylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C32H34O8
InChI InChI=1S/C32H34O8/c1-37-27(33)31(28(34)38-2,17-11-16-23-12-7-5-8-13-23)21-26-19-25(18-24-14-9-6-10-15-24)20-32(22-26,29(35)39-3)30(36)40-4/h5-16,18-19H,17,20-22H2,1-4H3/b16-11+,25-18-
InChIKey PPEKODNPGRWDRD-ARPSJZOASA-N
Molecular Weight 546.616 g/mol
SMILES C1(C(=O)OC)(C(=O)OC)C\C(=C/c2ccccc2)C=C(C1)CC(C(=O)OC)(C(=O)OC)C\C=C\c1ccccc1
SPLASH splash10-0002-9000000000-595cd37abc47230a8574
Source of Spectrum J-65-8541-57
Wiley ID 1533855