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4,13-bis[4'-(Ethoxycarbonyl)-3'-methoxybuta-1',3'-dienyl]-[2.2]paracyclophane
SpectraBase Compound ID Jx7sBxgP8Yd
InChI InChI=1S/C32H36O6/c1-5-37-31(33)21-29(35-3)17-15-27-19-23-7-8-24-10-12-26(14-13-25(27)11-9-23)28(20-24)16-18-30(36-4)22-32(34)38-6-2/h9-12,15-22H,5-8,13-14H2,1-4H3/b17-15+,18-16+,29-21-,30-22-
InChIKey LFDOCCQZFMFOQU-GXRXPEKJSA-N
Mol Weight 516.6 g/mol
Molecular Formula C32H36O6
Exact Mass 516.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdD2myqls63
Name 4,13-bis[4'-(Ethoxycarbonyl)-3'-methoxybuta-1',3'-dienyl]-[2.2]paracyclophane
Alternate Name(s) 4,12-bis[4'-(Ethoxycarbonyl)-3'-methoxybuta-1',3'-dienyl]-[2.2]paracyclophane Ethyl (2Z,4E)-5-[12-[(1E,3Z)-5-ethoxy-3-methoxy-5-oxo-1,3-pentadienyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-3-methoxy-2,4-pentadienoate
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Formula C32H36O6
InChI InChI=1S/C32H36O6/c1-5-37-31(33)21-29(35-3)17-15-27-19-23-7-8-24-10-12-26(14-13-25(27)11-9-23)28(20-24)16-18-30(36-4)22-32(34)38-6-2/h9-12,15-22H,5-8,13-14H2,1-4H3/b17-15+,18-16+,29-21-,30-22-
InChIKey LFDOCCQZFMFOQU-GXRXPEKJSA-N
Molecular Weight 516.634 g/mol
SMILES C(\C=C\(\C=C\c1c2CCc3c(\C=C\C(=C\C(=O)OCC)OC)cc(CCc(c1)cc2)cc3)OC)(=O)OCC
SPLASH splash10-0229-0940210000-9f34d93b3c64f955bbb0
Source of Spectrum H-2005-564-5
Wiley ID 1562242