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6-(4-Chlorophenyl)-1,8-dimethyl-3,4-dihydro-1,5-benzodiazocin-2(1H)-one
SpectraBase Compound ID FloUaKFIERV
InChI InChI=1S/C18H17ClN2O/c1-12-3-8-16-15(11-12)18(13-4-6-14(19)7-5-13)20-10-9-17(22)21(16)2/h3-8,11H,9-10H2,1-2H3/b20-18-
InChIKey JDZBPKVFWFKPJI-ZZEZOPTASA-N
Mol Weight 312.8 g/mol
Molecular Formula C18H17ClN2O
Exact Mass 312.102941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApXq3mDKKKo
Name 6-(4-Chlorophenyl)-1,8-dimethyl-3,4-dihydro-1,5-benzodiazocin-2(1H)-one
Alternate Name(s) 6-(4-Chlorophenyl)-1,2,3,4-tetrahydro-1,8-dimethyl-1,5-benzodiazocin-2-one
CAS Registry Number 63594-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN2O
InChI InChI=1S/C18H17ClN2O/c1-12-3-8-16-15(11-12)18(13-4-6-14(19)7-5-13)20-10-9-17(22)21(16)2/h3-8,11H,9-10H2,1-2H3/b20-18-
InChIKey JDZBPKVFWFKPJI-ZZEZOPTASA-N
Molecular Weight 312.800 g/mol
SMILES CN1C(=O)CC\N=C\(c2ccc(Cl)cc2)c2c1ccc(C)c2
SPLASH splash10-08gi-1192000000-5ff936b27ab794d0b388
Source of Spectrum W5-1989-36660-28876
Wiley ID 1313354