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N,N-1,4-Bis(3-cyanp-2-ethoxy-5-formyl-4-phenylpyridin-6-yl)piperazine
SpectraBase Compound ID Ix6qMbrguKY
InChI InChI=1S/C34H30N6O4/c1-3-43-33-25(19-35)29(23-11-7-5-8-12-23)27(21-41)31(37-33)39-15-17-40(18-16-39)32-28(22-42)30(24-13-9-6-10-14-24)26(20-36)34(38-32)44-4-2/h5-14,21-22H,3-4,15-18H2,1-2H3
InChIKey KSUGBKMKISAWBS-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C34H30N6O4
Exact Mass 586.232853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMger86dI44
Name N,N-1,4-Bis(3-cyanp-2-ethoxy-5-formyl-4-phenylpyridin-6-yl)piperazine
Alternate Name(s) N,N-1,4-Bis(3-cyano-2-ethoxy-5-formyl-4-phenylpyridin-6-yl)piperazine
Comments Note: The molecular formula of the structure shown is C34H30N6O4 - which differs from the formula reported for the mass spectrum (C34H40N6O4)
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Formula C34H40N6O4
InChI InChI=1S/C34H30N6O4/c1-3-43-33-25(19-35)29(23-11-7-5-8-12-23)27(21-41)31(37-33)39-15-17-40(18-16-39)32-28(22-42)30(24-13-9-6-10-14-24)26(20-36)34(38-32)44-4-2/h5-14,21-22H,3-4,15-18H2,1-2H3
InChIKey KSUGBKMKISAWBS-UHFFFAOYSA-N
Molecular Weight 586.652 g/mol
SMILES c1(c(c(-c2ccccc2)c(c(n1)OCC)C#N)C=O)N1CCN(c2c(c(-c3ccccc3)c(c(n2)OCC)C#N)C=O)CC1
SPLASH splash10-000l-0194000000-cf169ecb31bfc16dcb1a
Source of Spectrum H1-36-1346-5
Wiley ID 755324