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3-Chloro-4-[(4-phenyl-1-piperazinyl)methyl]benzonitrile
SpectraBase Compound ID 9WaRBodfjQG
InChI InChI=1S/C18H18ClN3/c19-18-12-15(13-20)6-7-16(18)14-21-8-10-22(11-9-21)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2
InChIKey ACBNMARLDLXIJT-UHFFFAOYSA-N
Mol Weight 311.82 g/mol
Molecular Formula C18H18ClN3
Exact Mass 311.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYxCsU7AoML
Name 3-Chloro-4-[(4-phenyl-1-piperazinyl)methyl]benzonitrile
CAS Registry Number 346579-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3
InChI InChI=1S/C18H18ClN3/c19-18-12-15(13-20)6-7-16(18)14-21-8-10-22(11-9-21)17-4-2-1-3-5-17/h1-7,12H,8-11,14H2
InChIKey ACBNMARLDLXIJT-UHFFFAOYSA-N
Molecular Weight 311.816 g/mol
SMILES c1ccc(N2CCN(CC2)Cc2c(cc(C#N)cc2)Cl)cc1
SPLASH splash10-0bt9-3901000000-507651f9827ff367f06d
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-4-[(4-phenylpiperazin-1-yl)methyl]benzenecarbonitrile 3-Chloro-4-[(4-phenylpiperazin-1-yl)methyl]benzonitrile 3-Chloro-4-[(4-phenylpiperazino)methyl]benzonitrile Benzonitrile, 3-chloro-4-(4-phenyl-1-piperazinylmethyl)-
Wiley ID 1435147