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3-(3,4-Methylenedioxyphenyl)-5-(2,4-dimethoxyphenyl)-2-(N-phenylcarbamido)-5-oxopentanocarbonitrile
SpectraBase Compound ID K3Hato2rqSz
InChI InChI=1S/C27H24N2O6/c1-32-19-9-10-20(25(13-19)33-2)23(30)14-21(17-8-11-24-26(12-17)35-16-34-24)22(15-28)27(31)29-18-6-4-3-5-7-18/h3-13,21-22H,14,16H2,1-2H3,(H,29,31)
InChIKey ZWHWQCJWYOFQIA-UHFFFAOYSA-N
Mol Weight 472.5 g/mol
Molecular Formula C27H24N2O6
Exact Mass 472.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3npkqQVLGss
Name 3-(3,4-Methylenedioxyphenyl)-5-(2,4-dimethoxyphenyl)-2-(N-phenylcarbamido)-5-oxopentanocarbonitrile
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-2-cyano-5-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpentanamide 3-(3,4-Methylenedioxyphenyl)-5-(2,4-dimethoxyphenyl)-2-(N-phenylcarbamido)-5-Oxo-pentanenitrile
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Formula C27H24N2O6
InChI InChI=1S/C27H24N2O6/c1-32-19-9-10-20(25(13-19)33-2)23(30)14-21(17-8-11-24-26(12-17)35-16-34-24)22(15-28)27(31)29-18-6-4-3-5-7-18/h3-13,21-22H,14,16H2,1-2H3,(H,29,31)
InChIKey ZWHWQCJWYOFQIA-UHFFFAOYSA-N
Molecular Weight 472.497 g/mol
SMILES N(C(C(C(CC(c1c(cc(cc1)OC)OC)=O)c1cc2OCOc2cc1)C#N)=O)c1ccccc1
SPLASH splash10-014i-1902000000-004a353a8e0c271df0aa
Source of Spectrum H1-53-1137-8
Wiley ID 817956