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2-Phenyl-3-(3,4-methylenedioxyphenyl)-5-(2,4-dimethoxyphenyl)-5-oxopentanocarbonitrile
SpectraBase Compound ID H5nokm44Yi6
InChI InChI=1S/C26H23NO5/c1-29-19-9-10-20(25(13-19)30-2)23(28)14-21(22(15-27)17-6-4-3-5-7-17)18-8-11-24-26(12-18)32-16-31-24/h3-13,21-22H,14,16H2,1-2H3
InChIKey HAKNIBFODBOXOK-UHFFFAOYSA-N
Mol Weight 429.47 g/mol
Molecular Formula C26H23NO5
Exact Mass 429.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMEh2oku0Wa
Name 2-Phenyl-3-(3,4-methylenedioxyphenyl)-5-(2,4-dimethoxyphenyl)-5-oxopentanocarbonitrile
Alternate Name(s) 2-Phenyl-3-(3,4-methylenedioxyphenyl)-5-(2,4-dimethoxyphenyl)-5-Oxo-pentanenitrile 3-(1,3-benzodioxol-5-yl)-5-(2,4-dimethoxyphenyl)-5-oxo-2-phenylpentanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO5
InChI InChI=1S/C26H23NO5/c1-29-19-9-10-20(25(13-19)30-2)23(28)14-21(22(15-27)17-6-4-3-5-7-17)18-8-11-24-26(12-18)32-16-31-24/h3-13,21-22H,14,16H2,1-2H3
InChIKey HAKNIBFODBOXOK-UHFFFAOYSA-N
Molecular Weight 429.472 g/mol
SMILES c1(C(CC(c2cc3OCOc3cc2)C(C#N)c2ccccc2)=O)c(cc(cc1)OC)OC
SPLASH splash10-014r-0903000000-fc15ab6656b5c4c34ce6
Source of Spectrum H1-53-1138-10
Wiley ID 817954