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3-(4'-Chloroanilino)-2-[(4''-chloroanilino)-4'-pyridylmethyl]-3-(4''-pyridyl)propionitrile
SpectraBase Compound ID 9zZi6PRQL5F
InChI InChI=1S/C26H21Cl2N5/c27-20-1-5-22(6-2-20)32-25(18-9-13-30-14-10-18)24(17-29)26(19-11-15-31-16-12-19)33-23-7-3-21(28)4-8-23/h1-16,24-26,32-33H
InChIKey BBVFMXVGZUBCTN-UHFFFAOYSA-N
Mol Weight 474.4 g/mol
Molecular Formula C26H21Cl2N5
Exact Mass 473.117401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44PenJZAgum
Name 3-(4'-Chloroanilino)-2-[(4''-chloroanilino)-4'-pyridylmethyl]-3-(4''-pyridyl)propionitrile
Alternate Name(s) 3-(4-Chloroanilino)-2-[(4-chloroanilino)(4-pyridinyl)methyl]-3-(4-pyridinyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21Cl2N5
InChI InChI=1S/C26H21Cl2N5/c27-20-1-5-22(6-2-20)32-25(18-9-13-30-14-10-18)24(17-29)26(19-11-15-31-16-12-19)33-23-7-3-21(28)4-8-23/h1-16,24-26,32-33H
InChIKey BBVFMXVGZUBCTN-UHFFFAOYSA-N
Molecular Weight 474.395 g/mol
SMILES N(C(C(C(Nc1ccc(cc1)Cl)c1ccncc1)C#N)c1ccncc1)c1ccc(cc1)Cl
SPLASH splash10-016r-3890000000-e10da12fe3587f445b44
Source of Spectrum U-1996-1474-3
Wiley ID 768731