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2-{[1-(4-chloro-1-naphthyl)ethyl]imino}hexahydro-1H-azepine, monohydrochloride
SpectraBase Compound ID 2pIIYEPIHKr
InChI InChI=1S/C18H21ClN2.ClH/c1-13(21-18-9-3-2-6-12-20-18)14-10-11-17(19)16-8-5-4-7-15(14)16;/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,20,21);1H
InChIKey FIWCIMHPWPDEPK-UHFFFAOYSA-N
Mol Weight 337.29 g/mol
Molecular Formula C18H22Cl2N2
Exact Mass 336.116004 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2bQgWShh2O0
Name 2-{[1-(4-CHLORO-1-NAPHTHYL)ETHYL]IMINO}HEXAHYDRO-1H-AZEPINE, MONOHYDROCHLORIDE
Source of Sample J. M. Grisar, Merrell-National Laboratories, Cincinnati, Ohio
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22Cl2N2
InChI InChI=1S/C18H21ClN2.ClH/c1-13(21-18-9-3-2-6-12-20-18)14-10-11-17(19)16-8-5-4-7-15(14)16;/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,20,21);1H
InChIKey FIWCIMHPWPDEPK-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 15, 1270(1972)
Melting Point 263-265C
Molecular Weight 337.287994
Synonyms 1H-AZEPINE, 2-//1-/4-CHLORO- 1-NAPHTHYL/ETHYL/IMINO/HEXAHYDRO-, MONOHYDROCHLORIDE
Technique KBr WAFER