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cis-6-Bromo-4-(2-oxoazepan-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinoline

View entire compound with spectra: 1 MS (GC)

cis-6-Bromo-4-(2-oxoazepan-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinoline
SpectraBase Compound ID BuqDYzCsXvK
InChI InChI=1S/C21H23BrN2O/c22-16-10-11-18-17(13-16)20(24-12-6-2-5-9-21(24)25)14-19(23-18)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13,19-20,23H,2,5-6,9,12,14H2/t19-,20-/m0/s1
InChIKey CVCJGIRVBKSLMJ-PMACEKPBSA-N
Mol Weight 399.33 g/mol
Molecular Formula C21H23BrN2O
Exact Mass 398.099376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3p0hDxSi9o
Name cis-6-Bromo-4-(2-oxoazepan-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinoline
Alternate Name(s) 1-[(2S,4S)-6-bromo-2-phenyl-1,2,3,4-tetrahydro-4-quinolinyl]hexahydro-2H-azepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrN2O
InChI InChI=1S/C21H23BrN2O/c22-16-10-11-18-17(13-16)20(24-12-6-2-5-9-21(24)25)14-19(23-18)15-7-3-1-4-8-15/h1,3-4,7-8,10-11,13,19-20,23H,2,5-6,9,12,14H2/t19-,20-/m0/s1
InChIKey CVCJGIRVBKSLMJ-PMACEKPBSA-N
Molecular Weight 399.332 g/mol
SMILES N1c2c([C@](C[C@]1(c1ccccc1)[H])(N1C(=O)CCCCC1)[H])cc(cc2)Br
SPLASH splash10-06s9-0090000000-eb3a527f5c7728739748
Source of Spectrum F4-0-2834-3
Wiley ID 1620444