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8-CHLORO-1,9B-DIHYDRO-9B-PHENYL-5-(2-PROPARGYL)-3H-AZIRINO-[1,2-D]-[1,4]-BENZODIAZEPIN-4(5H)-ONE
SpectraBase Compound ID CnZUFkX4kLa
InChI InChI=1S/C19H13Cl3N2O/c1-2-10-23-16-9-8-14(20)11-15(16)18(13-6-4-3-5-7-13)19(21,22)24(18)12-17(23)25/h1,3-9,11H,10,12H2/t18-,24?/m0/s1
InChIKey DRVAPCONZJRVLU-VEXWJQHLSA-N
Mol Weight 391.69 g/mol
Molecular Formula C19H13Cl3N2O
Exact Mass 390.009346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdfYoKoW34a
Name 1,1,8-Trichloro-1,9b-dihydro-5-(2-propargyl)-9b(S)-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4(5H)-one
Alternate Name(s) (9bS)-1,1,8-trichloro-9b-phenyl-5-(2-propynyl)-5,9b-dihydro-1H-azirino[1,2-d][1,4]benzodiazepin-4(3H)-one 1,1,8-Trichloro-1,9b-dihydro-5-(2-propargyl)-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4(5H)-one
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Formula C19H13Cl3N2O
InChI InChI=1S/C19H13Cl3N2O/c1-2-10-23-16-9-8-14(20)11-15(16)18(13-6-4-3-5-7-13)19(21,22)24(18)12-17(23)25/h1,3-9,11H,10,12H2/t18-,24?/m0/s1
InChIKey DRVAPCONZJRVLU-VEXWJQHLSA-N
Molecular Weight 391.685 g/mol
SMILES [C@]12(C(Cl)(Cl)N2CC(=O)N(c2c1cc(cc2)Cl)CC#C)c1ccccc1
SPLASH splash10-0udi-0029000000-06b3313e4c8fc496d435
Source of Spectrum H1-36-698-2
Wiley ID 755251