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(E)-2-[4-[(E)-2-cyano-3-(3,4-dihydroxyphenyl)acryloyl]piperazine-1-carbonyl]-3-(3,4-dihydroxyphenyl)acrylonitrile
SpectraBase Compound ID 3NRtrENFMNw
InChI InChI=1S/C24H20N4O6/c25-13-17(9-15-1-3-19(29)21(31)11-15)23(33)27-5-7-28(8-6-27)24(34)18(14-26)10-16-2-4-20(30)22(32)12-16/h1-4,9-12,29-32H,5-8H2/b17-9+,18-10+
InChIKey LGNJLNMJHWXSGQ-BEQMOXJMSA-N
Mol Weight 460.45 g/mol
Molecular Formula C24H20N4O6
Exact Mass 460.138284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuAXdo3mS17
Name (E)-2-[4-[(E)-2-cyano-3-(3,4-dihydroxyphenyl)acryloyl]piperazine-1-carbonyl]-3-(3,4-dihydroxyphenyl)acrylonitrile
Alternate Name(s) (E)-2-[4-[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]piperazine-1-carbonyl]-3-(3,4-dihydroxyphenyl)prop-2-enenitrile (E)-2-[[4-[(E)-2-cyano-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-oxomethyl]-3-(3,4-dihydroxyphenyl)-2-propenenitrile (E)-3-[3,4-bis(oxidanyl)phenyl]-2-[4-[(E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoyl]piperazin-1-yl]carbonyl-prop-2-enenitrile
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Formula C24H20N4O6
InChI InChI=1S/C24H20N4O6/c25-13-17(9-15-1-3-19(29)21(31)11-15)23(33)27-5-7-28(8-6-27)24(34)18(14-26)10-16-2-4-20(30)22(32)12-16/h1-4,9-12,29-32H,5-8H2/b17-9+,18-10+
InChIKey LGNJLNMJHWXSGQ-BEQMOXJMSA-N
Molecular Weight 460.446 g/mol
SMILES Oc1c(cc(\C=C\(C(N2CCN(C(\C(=C\c3cc(c(cc3)O)O)C#N)=O)CC2)=O)C#N)cc1)O
SPLASH splash10-0pca-0920100000-95754b34eb815630aa99
Source of Spectrum E1-39-4910-15
Wiley ID 1599089