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4,15-BIS-[(1E,3E,5E,7E)-8-(ETHOXYCARBONYL)-OCTA-1,3,4,5-TETRAENYL]-[2.2]-PARACYCLOPHANE
SpectraBase Compound ID IM77EjcWpEX
InChI InChI=1S/C38H40O4/c1-3-41-37(39)19-15-11-7-5-9-13-17-35-29-31-21-22-32-24-26-34(28-27-33(35)25-23-31)36(30-32)18-14-10-6-8-12-16-20-38(40)42-4-2/h5-20,23-26,29-30H,3-4,21-22,27-28H2,1-2H3/b9-5+,10-6+,11-7+,12-8+,17-13+,18-14+,19-15+,20-16+
InChIKey OCURJSCCZSAPMW-LMHGLJKWSA-N
Mol Weight 560.7 g/mol
Molecular Formula C38H40O4
Exact Mass 560.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtZXf7pAVdL
Name 4,15-bis[8'-(Ethoxycarbonyl)octa-1',3',4',5'-tetraenyl]-[2.2]paracyclophane
Alternate Name(s) Ethyl (2E,4E,6E,8E)-9-[12-[(1E,3E,5E,7E)-9-ethoxy-9-oxo-1,3,5,7-nonatetraenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-2,4,6,8-nonatetraenoate
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Formula C38H40O4
InChI InChI=1S/C38H40O4/c1-3-41-37(39)19-15-11-7-5-9-13-17-35-29-31-21-22-32-24-26-34(28-27-33(35)25-23-31)36(30-32)18-14-10-6-8-12-16-20-38(40)42-4-2/h5-20,23-26,29-30H,3-4,21-22,27-28H2,1-2H3/b9-5+,10-6+,11-7+,12-8+,17-13+,18-14+,19-15+,20-16+
InChIKey OCURJSCCZSAPMW-LMHGLJKWSA-N
Molecular Weight 560.734 g/mol
SMILES c1(c2CCc3c(\C=C\C=C\C=C\C=C\C(=O)OCC)cc(CCc(c1)cc2)cc3)\C=C\C=C\C=C\C=C\C(=O)OCC
SPLASH splash10-054o-0950020000-92b08b56890a14b3f979
Source of Spectrum H-2005-578-15
Wiley ID 1562232