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4,15-BIS-[(1E,3E,5E)-6-FORMYLHEXA-1,3,5-TRIENYL]-[2.2]-PARACYCLOPHANE
SpectraBase Compound ID FtEBAjxc66U
InChI InChI=1S/C30H28O2/c31-21-9-5-1-3-7-11-29-23-25-13-14-26-16-18-28(20-19-27(29)17-15-25)30(24-26)12-8-4-2-6-10-22-32/h1-12,15-18,21-24H,13-14,19-20H2/b3-1+,4-2+,9-5+,10-6+,11-7+,12-8+
InChIKey GELDVGDBCAXDJP-RRXUTFQKSA-N
Mol Weight 420.55 g/mol
Molecular Formula C30H28O2
Exact Mass 420.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHUkBU4vSW
Name 4,15-bis[6'-Formylhexa-1',3',5'-trienyl]-[2.2]paracyclophane
Alternate Name(s) (2E,4E,6E)-7-[12-[(1E,3E,5E)-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-heptatrienal
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Formula C30H28O2
InChI InChI=1S/C30H28O2/c31-21-9-5-1-3-7-11-29-23-25-13-14-26-16-18-28(20-19-27(29)17-15-25)30(24-26)12-8-4-2-6-10-22-32/h1-12,15-18,21-24H,13-14,19-20H2/b3-1+,4-2+,9-5+,10-6+,11-7+,12-8+
InChIKey GELDVGDBCAXDJP-RRXUTFQKSA-N
Molecular Weight 420.552 g/mol
SMILES c1(c2CCc3c(\C=C\C=C\C=C\C=O)cc(CCc(c1)cc2)cc3)\C=C\C=C\C=C\C=O
SPLASH splash10-052f-0930100000-57fa65ac9c81dbb8dcab
Source of Spectrum H-2005-579-14
Wiley ID 1562231