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(E,E)-1-[(E)-5-(4-{6-[5-(Piperidin-1-yl)-5-oxopent-3-enyl]-1,3-benzodioxol-4-yl}-1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]piperidine
SpectraBase Compound ID KAKKcH40IbE
InChI InChI=1S/C34H38N2O6/c37-30(35-17-7-1-8-18-35)13-5-3-11-25-21-27(33-29(22-25)40-24-41-33)32-26(15-16-28-34(32)42-23-39-28)12-4-6-14-31(38)36-19-9-2-10-20-36/h4-6,12-16,21-22H,1-3,7-11,17-20,23-24H2/b12-4+,13-5+,14-6+
InChIKey RDLVFVVPYFMWMF-NFTUMOSNSA-N
Mol Weight 570.7 g/mol
Molecular Formula C34H38N2O6
Exact Mass 570.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YHCc4OPJk6
Name (E,E)-1-[(E)-5-(4-{6-[5-(Piperidin-1-yl)-5-oxopent-3-enyl]-1,3-benzodioxol-4-yl}-1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]piperidine
Alternate Name(s) Pipbinine (2E,4E)-5-(6'-((E)-5-oxo-5-(piperidin-1-yl)pent-3-en-1-yl)-[4,4'-bibenzo[d][1,3]dioxol]-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
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Formula C34H38N2O6
InChI InChI=1S/C34H38N2O6/c37-30(35-17-7-1-8-18-35)13-5-3-11-25-21-27(33-29(22-25)40-24-41-33)32-26(15-16-28-34(32)42-23-39-28)12-4-6-14-31(38)36-19-9-2-10-20-36/h4-6,12-16,21-22H,1-3,7-11,17-20,23-24H2/b12-4+,13-5+,14-6+
InChIKey RDLVFVVPYFMWMF-NFTUMOSNSA-N
Literature Reference DOI 10.1002/hlca.200490061
Molecular Weight 570.686 g/mol
SMILES C1N(CCCC1)C(\C=C\C=C\c1c(c2OCOc2cc1)-c1cc(cc2c1OCO2)CC\C=C\C(=O)N1CCCCC1)=O
SPLASH splash10-00yi-3930110000-5ca76392605385fb7472
Source of Spectrum H-87-665-2
Wiley ID 1785431