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8-Bromo-1-ethyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2(1H)-one
SpectraBase Compound ID AgYUM738buI
InChI InChI=1S/C18H17BrN2O/c1-2-21-16-9-8-14(19)12-15(16)18(20-11-10-17(21)22)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/b20-18-
InChIKey JSHDKMALFLYQLW-ZZEZOPTASA-N
Mol Weight 357.25 g/mol
Molecular Formula C18H17BrN2O
Exact Mass 356.052426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRRMAHUYNFn
Name 8-Bromo-1-ethyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-2(1H)-one
Alternate Name(s) 8-Bromo-1-ethyl-1,2,3,4-tetrahydro-6-phenyl-1,5-benzodiazocin-2-one
CAS Registry Number 63563-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O
InChI InChI=1S/C18H17BrN2O/c1-2-21-16-9-8-14(19)12-15(16)18(20-11-10-17(21)22)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/b20-18-
InChIKey JSHDKMALFLYQLW-ZZEZOPTASA-N
Molecular Weight 357.251 g/mol
SMILES CCN1C(=O)CC\N=C\(c2ccccc2)c2c1ccc(Br)c2
SPLASH splash10-0a4i-2029000000-1e9c0e76a95a832bc3be
Source of Spectrum HC-13-429-0
Wiley ID 1345660