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6-(4-BROMOPHENYL)-6,7-DIHYDRO-7-METHYLSULFONYL-6-PHENYL-5H-TETRAZOLO-[1,5-D]-[1,4]-BENZODIAZEPINE
SpectraBase Compound ID IUhNvYhoLxl
InChI InChI=1S/C16H14BrN5O2S/c1-25(23,24)22-14-5-3-2-4-13(14)16-18-19-20-21(16)10-15(22)11-6-8-12(17)9-7-11/h2-9,15H,10H2,1H3
InChIKey MKUILGUPNSSURM-UHFFFAOYSA-N
Mol Weight 420.29 g/mol
Molecular Formula C16H14BrN5O2S
Exact Mass 419.005159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H37Iexjpyf
Name 6-(4-Bromophenyl)-6,7-dihydro-7-methylsulfonyl-5H-tetrazolo[1,5-d][1,4]benzodiazepine
Alternate Name(s) 6-(4-bromophenyl)-7-(methylsulfonyl)-6,7-dihydro-5H-tetraazolo[1,5-d][1,4]benzodiazepine 6-(4-bromophenyl)-7-methylsulfonyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzodiazepine 6-(4-bromophenyl)-7-methylsulfonyl-5,6-dihydro-[1,2,3,4]tetrazolo[1,5-d][1,4]benzodiazepine
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Formula C16H14BrN5O2S
InChI InChI=1S/C16H14BrN5O2S/c1-25(23,24)22-14-5-3-2-4-13(14)16-18-19-20-21(16)10-15(22)11-6-8-12(17)9-7-11/h2-9,15H,10H2,1H3
InChIKey MKUILGUPNSSURM-UHFFFAOYSA-N
Molecular Weight 420.285 g/mol
SMILES CS(N1C(C[n]2nnnc2-c2c1cccc2)c1ccc(cc1)Br)(=O)=O
SPLASH splash10-014i-9585500000-89a5584790d882127b6d
Source of Spectrum KC-0-3481-4
Wiley ID 829686