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4-Benzyl-1-n-butyl-2-cyano-4,5-dihydro-1H-azepine
SpectraBase Compound ID 6p6BUU7awqh
InChI InChI=1S/C18H22N2/c1-2-3-11-20-12-7-10-17(14-18(20)15-19)13-16-8-5-4-6-9-16/h4-9,12,14,17H,2-3,10-11,13H2,1H3
InChIKey UGXKGPWNCCRZDA-UHFFFAOYSA-N
Mol Weight 266.39 g/mol
Molecular Formula C18H22N2
Exact Mass 266.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9l5vumNjpzu
Name 4-Benzyl-1-n-butyl-2-cyano-4,5-dihydro-1H-azepine
Alternate Name(s) 4-Benzyl-1-butyl-4,5-dihydro-1H-azepine-2-carbonitrile
CAS Registry Number 117679-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2
InChI InChI=1S/C18H22N2/c1-2-3-11-20-12-7-10-17(14-18(20)15-19)13-16-8-5-4-6-9-16/h4-9,12,14,17H,2-3,10-11,13H2,1H3
InChIKey UGXKGPWNCCRZDA-UHFFFAOYSA-N
Molecular Weight 266.388 g/mol
SMILES C=1(N(C=CCC(C1)Cc1ccccc1)CCCC)C#N
SPLASH splash10-00or-1900000000-5d7554fcd921eacbe320
Source of Spectrum J-54-483-12
Wiley ID 1270730