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2-cyano-1-phenyl-4-propyl-4,5-dihydro-1H-azepine
SpectraBase Compound ID Ka0WXaZEuC0
InChI InChI=1S/C16H18N2/c1-2-7-14-8-6-11-18(16(12-14)13-17)15-9-4-3-5-10-15/h3-6,9-12,14H,2,7-8H2,1H3
InChIKey WDYLEYYRCJCWTC-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcbMi1esSjs
Name 2-cyano-1-phenyl-4-propyl-4,5-dihydro-1H-azepine
Alternate Name(s) 1-Phenyl-4-propyl-4,5-dihydro-1H-azepine-2-carbonitrile
CAS Registry Number 117679-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-2-7-14-8-6-11-18(16(12-14)13-17)15-9-4-3-5-10-15/h3-6,9-12,14H,2,7-8H2,1H3
InChIKey WDYLEYYRCJCWTC-UHFFFAOYSA-N
Molecular Weight 238.334 g/mol
SMILES C=1(N(C=CCC(C1)CCC)c1ccccc1)C#N
SPLASH splash10-000b-3960000000-eaef1ae0f335712b8d5f
Source of Spectrum J-54-483-10
Wiley ID 1241423