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1,9B-DIHYDRO-9B-(2'-FLUOROPHENYL)-5-METHYL-8-NITRO-3H-AZIRINO-[1,2-D]-[1,4]-BENZODIAZEPIN-4(5H)-ONE
SpectraBase Compound ID DxL4cr4XBR8
InChI InChI=1S/C17H12Cl2FN3O3/c1-21-14-7-6-10(23(25)26)8-12(14)16(11-4-2-3-5-13(11)20)17(18,19)22(16)9-15(21)24/h2-8H,9H2,1H3/t16-,22?/m0/s1
InChIKey GIXZUZOHIARRFD-CISYCMJJSA-N
Mol Weight 396.21 g/mol
Molecular Formula C17H12Cl2FN3O3
Exact Mass 395.023975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VGdSk51HFN
Name (R)-1,9b-Dihydro-1,1-dichloro-5-methyl-9b-(2'-fluorophenyl)-8-nitro-3H-azirino[1,2-d][1,4]benzodiazepin-4(5H)-one
Alternate Name(s) (9bR)-1,1-dichloro-9b-(2-fluorophenyl)-5-methyl-8-nitro-5,9b-dihydro-1H-azirino[1,2-d][1,4]benzodiazepin-4(3H)-one 1,9b-Dihydro-1,1-dichloro-5-methyl-9b-(2'-fluorophenyl)-8-nitro-3H-azirino[1,2-d][1,4]benzodiazepin-4(5H)-one
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Formula C17H12Cl2FN3O3
InChI InChI=1S/C17H12Cl2FN3O3/c1-21-14-7-6-10(23(25)26)8-12(14)16(11-4-2-3-5-13(11)20)17(18,19)22(16)9-15(21)24/h2-8H,9H2,1H3/t16-,22?/m0/s1
InChIKey GIXZUZOHIARRFD-CISYCMJJSA-N
Molecular Weight 396.205 g/mol
SMILES [C@]12(C(Cl)(Cl)N2CC(=O)N(c2c1cc(N(=O)=O)cc2)C)c1c(F)cccc1
SPLASH splash10-0a4i-0019000000-dc50851c37b9c8c297c7
Source of Spectrum H1-36-698-2
Wiley ID 755249