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6-(4-Chlorophenyl)-5-isobutyryl-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

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6-(4-Chlorophenyl)-5-isobutyryl-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
SpectraBase Compound ID 2HoROK7zGSD
InChI InChI=1S/C25H27ClN2O2/c1-15(2)24(30)28-20-8-6-5-7-18(20)27-19-13-25(3,4)14-21(29)22(19)23(28)16-9-11-17(26)12-10-16/h5-12,15,23,27H,13-14H2,1-4H3
InChIKey HKIHPKOBKHKTME-UHFFFAOYSA-N
Mol Weight 422.96 g/mol
Molecular Formula C25H27ClN2O2
Exact Mass 422.176106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSzFa6lYuFO
Name 6-(4-Chlorophenyl)-5-isobutyryl-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27ClN2O2
InChI InChI=1S/C25H27ClN2O2/c1-15(2)24(30)28-20-8-6-5-7-18(20)27-19-13-25(3,4)14-21(29)22(19)23(28)16-9-11-17(26)12-10-16/h5-12,15,23,27H,13-14H2,1-4H3
InChIKey HKIHPKOBKHKTME-UHFFFAOYSA-N
Molecular Weight 422.956 g/mol
SMILES N1c2c(N(C(C3=C1CC(CC3=O)(C)C)c1ccc(cc1)Cl)C(C(C)C)=O)cccc2
SPLASH splash10-000f-9465000000-94b939f12c4fc23da1b0
Synonyms 6-(4-Chlorophenyl)-9,9-dimethyl-5-(2-methyl-1-oxopropyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one 6-(4-Chlorophenyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1438722