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4,15-BIS-[(1E,3E,5E)-6-(ETHOXYCARBONYL)-HEXA-1,3,5-TRIENYL]-[2.2]-PARACYCLOPHANE
SpectraBase Compound ID 4bi97ZElzjv
InChI InChI=1S/C34H36O4/c1-3-37-33(35)15-11-7-5-9-13-31-25-27-17-18-28-20-22-30(24-23-29(31)21-19-27)32(26-28)14-10-6-8-12-16-34(36)38-4-2/h5-16,19-22,25-26H,3-4,17-18,23-24H2,1-2H3/b7-5+,8-6+,13-9+,14-10+,15-11+,16-12+
InChIKey ZDKIVCFOTKGYIP-PLGDXJHTSA-N
Mol Weight 508.7 g/mol
Molecular Formula C34H36O4
Exact Mass 508.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gtfwAoS0hf
Name 4,15-bis[6'-(Ethoxycarbonyl)hexa-1',3',5'-trienyl]-[2.2]paracyclophane
Alternate Name(s) Ethyl (2E,4E,6E)-7-[12-[(1E,3E,5E)-7-ethoxy-7-oxo-1,3,5-heptatrienyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-2,4,6-heptatrienoate
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Formula C34H36O4
InChI InChI=1S/C34H36O4/c1-3-37-33(35)15-11-7-5-9-13-31-25-27-17-18-28-20-22-30(24-23-29(31)21-19-27)32(26-28)14-10-6-8-12-16-34(36)38-4-2/h5-16,19-22,25-26H,3-4,17-18,23-24H2,1-2H3/b7-5+,8-6+,13-9+,14-10+,15-11+,16-12+
InChIKey ZDKIVCFOTKGYIP-PLGDXJHTSA-N
Molecular Weight 508.658 g/mol
SMILES c1(c2CCc3c(\C=C\C=C\C=C\C(=O)OCC)cc(CCc(c1)cc2)cc3)\C=C\C=C\C=C\C(=O)OCC
SPLASH splash10-0zir-0960110000-799a8962de0987ea416a
Source of Spectrum H-2005-578-11
Wiley ID 1562233