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2-cyano-4-ethyl-1-phenyl-4,5-dihydro-1H-azepine
SpectraBase Compound ID IvtY0r9qjUl
InChI InChI=1S/C15H16N2/c1-2-13-7-6-10-17(15(11-13)12-16)14-8-4-3-5-9-14/h3-6,8-11,13H,2,7H2,1H3
InChIKey VYQORWGGATUFLY-UHFFFAOYSA-N
Mol Weight 224.31 g/mol
Molecular Formula C15H16N2
Exact Mass 224.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaVHewI0VNW
Name 2-cyano-4-ethyl-1-phenyl-4,5-dihydro-1H-azepine
Alternate Name(s) 4-Ethyl-1-phenyl-4,5-dihydro-1H-azepine-2-carbonitrile
CAS Registry Number 117679-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2
InChI InChI=1S/C15H16N2/c1-2-13-7-6-10-17(15(11-13)12-16)14-8-4-3-5-9-14/h3-6,8-11,13H,2,7H2,1H3
InChIKey VYQORWGGATUFLY-UHFFFAOYSA-N
Molecular Weight 224.307 g/mol
SMILES C=1(N(C=CCC(C1)CC)c1ccccc1)C#N
SPLASH splash10-004j-7920000000-72a5e3f3a0df53cecc04
Source of Spectrum J-54-483-9
Wiley ID 1225864