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bis 4-(3'-Methylidenepent-4'-enyl)benzyl propanedioate
SpectraBase Compound ID BBTVlj1n5jz
InChI InChI=1S/C29H32O4/c1-5-22(3)7-9-24-11-15-26(16-12-24)20-32-28(30)19-29(31)33-21-27-17-13-25(14-18-27)10-8-23(4)6-2/h5-6,11-18H,1-4,7-10,19-21H2
InChIKey UNHUOZZWAHWIAK-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C29H32O4
Exact Mass 444.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tzNXxwTq2A
Name bis 4-(3'-Methylidenepent-4'-enyl)benzyl propanedioate
Alternate Name(s) bis[4-(3-methylene-4-pentenyl)benzyl]malonate propanedioic acid bis[[4-(3-methylenepent-4-enyl)phenyl]methyl] ester bis[[4-(3-methylenepent-4-enyl)phenyl]methyl] propanedioate bis[[4-(3-methylidenepent-4-enyl)phenyl]methyl] propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C29H32O4
InChI InChI=1S/C29H32O4/c1-5-22(3)7-9-24-11-15-26(16-12-24)20-32-28(30)19-29(31)33-21-27-17-13-25(14-18-27)10-8-23(4)6-2/h5-6,11-18H,1-4,7-10,19-21H2
InChIKey UNHUOZZWAHWIAK-UHFFFAOYSA-N
Molecular Weight 444.571 g/mol
SMILES C(C(=O)OCc1ccc(cc1)CCC(C=C)=C)C(=O)OCc1ccc(cc1)CCC(C=C)=C
SPLASH splash10-0udi-0900000000-a603fe143207bc86ba3c
Source of Spectrum H-80-335-14
Wiley ID 1386147