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3-{2-[4-(4-Methoxyphenyl)piperazin-1-yl]phenyl}-2-(phenylcarbonyl)prop-2-enenitrile
SpectraBase Compound ID DTeF3cc9yO1
InChI InChI=1S/C27H25N3O2/c1-32-25-13-11-24(12-14-25)29-15-17-30(18-16-29)26-10-6-5-9-22(26)19-23(20-28)27(31)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3/b23-19+
InChIKey AUKHJMRMTVAROF-FCDQGJHFSA-N
Mol Weight 423.52 g/mol
Molecular Formula C27H25N3O2
Exact Mass 423.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3q9rYQ6Mtow
Name 3-{2-[4-(4-Methoxyphenyl)piperazin-1-yl]phenyl}-2-(phenylcarbonyl)prop-2-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O2
InChI InChI=1S/C27H25N3O2/c1-32-25-13-11-24(12-14-25)29-15-17-30(18-16-29)26-10-6-5-9-22(26)19-23(20-28)27(31)21-7-3-2-4-8-21/h2-14,19H,15-18H2,1H3/b23-19+
InChIKey AUKHJMRMTVAROF-FCDQGJHFSA-N
Molecular Weight 423.516 g/mol
SMILES c1(\C=C\(C(=O)c2ccccc2)C#N)c(N2CCN(CC2)c2ccc(cc2)OC)cccc1
SPLASH splash10-00di-1600900000-6485cdd45bc4e843feb5
Source of Spectrum HC-49-741-3f
Synonyms (E)-2-benzoyl-3-(2-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)acrylonitrile
Wiley ID 1739356