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Ethyl (E)-3-phenyl-7(6)-[4-(3-phenyl-2-propenyl)piperazine-1-ylmethyl]quinoxaline-2-carboxylate 1,4-dioxide
SpectraBase Compound ID D6QOG0Y5x1E
InChI InChI=1S/C31H32N4O4/c1-2-39-31(36)30-29(26-13-7-4-8-14-26)34(37)27-16-15-25(22-28(27)35(30)38)23-33-20-18-32(19-21-33)17-9-12-24-10-5-3-6-11-24/h3-16,22H,2,17-21,23H2,1H3/b12-9+
InChIKey ZKJYZIBJTPKHOU-FMIVXFBMSA-N
Mol Weight 524.6 g/mol
Molecular Formula C31H32N4O4
Exact Mass 524.242356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRjBxhZLEdo
Name Ethyl (E)-3-phenyl-7(6)-[4-(3-phenyl-2-propenyl)piperazine-1-ylmethyl]quinoxaline-2-carboxylate 1,4-dioxide
Alternate Name(s) 1-Oxido-4-oxo-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-quinoxalin-4-iumcarboxylic acid ethyl ester Ethyl 1-oxido-4-oxo-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-4-ium-2-carboxylate Ethyl 7-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-1-oxido-4-oxo-3-phenyl-quinoxalin-4-ium-2-carboxylate Ethyl 1-oxidanidyl-4-oxidanylidene-3-phenyl-7-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]quinoxalin-4-ium-2-carboxylate
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Formula C31H32N4O4
InChI InChI=1S/C31H32N4O4/c1-2-39-31(36)30-29(26-13-7-4-8-14-26)34(37)27-16-15-25(22-28(27)35(30)38)23-33-20-18-32(19-21-33)17-9-12-24-10-5-3-6-11-24/h3-16,22H,2,17-21,23H2,1H3/b12-9+
InChIKey ZKJYZIBJTPKHOU-FMIVXFBMSA-N
Molecular Weight 524.621 g/mol
SMILES c1([n+](c2c([n+](c1-c1ccccc1)[O-])ccc(c2)CN1CCN(CC1)C\C=C\c1ccccc1)[O-])C(=O)OCC
SPLASH splash10-0gb9-2590000000-a9b5185f9200ae6b5405
Source of Spectrum F2-45-2160-21
Wiley ID 1689147