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Propanedioic acid, [4-[2-(1-octenyl)phenyl]-3-butenyl]-, diethyl ester, (Z,Z)-
SpectraBase Compound ID 4eQES4ZHTId
InChI InChI=1S/C25H36O4/c1-4-7-8-9-10-11-16-21-17-12-13-18-22(21)19-14-15-20-23(24(26)28-5-2)25(27)29-6-3/h11-14,16-19,23H,4-10,15,20H2,1-3H3/b16-11-,19-14-
InChIKey XUIAUUWHSBBTMB-VVFPYCPVSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbOm3ITQjeD
Name Propanedioic acid, [4-[2-(1-octenyl)phenyl]-3-butenyl]-, diethyl ester, (Z,Z)-
CAS Registry Number 107586-21-0
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Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-4-7-8-9-10-11-16-21-17-12-13-18-22(21)19-14-15-20-23(24(26)28-5-2)25(27)29-6-3/h11-14,16-19,23H,4-10,15,20H2,1-3H3/b16-11-,19-14-
InChIKey XUIAUUWHSBBTMB-VVFPYCPVSA-N
Molecular Weight 400.559 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CC\C=C/c1c(\C=C/CCCCCC)cccc1
SPLASH splash10-05r3-0910000000-044514c474bf14404849
Source of Spectrum KC-1989-482-34
Synonyms Diethyl 2-((3Z)-4-{2-[(1Z)-1-octenyl]phenyl}-3-butenyl)malonate Diethyl 2-[(Z)-4-{2-[(Z)-oct-1-enyl]phenyl}but-3-enyl]malonate 2-[(Z)-4-[2-[(Z)-oct-1-enyl]phenyl]but-3-enyl]propanedioic acid diethyl ester Diethyl 2-[(Z)-4-[2-[(Z)-oct-1-enyl]phenyl]but-3-enyl]propanedioate
Wiley ID 1369591