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6-(4-FLUOROPHENYL)-6,7-DIHYDRO-7-METHYLSULFONYL-6-PHENYL-5H-TETRAZOLO-[1,5-D]-[1,4]-BENZODIAZEPINE
SpectraBase Compound ID GvCH5L1bWqU
InChI InChI=1S/C16H14FN5O2S/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 CEQOGWPZYUCCFA-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C16H14FN5O2S
Exact Mass 359.085224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDHray8oWNI
Name 6-(4-fluorophenyl)-7-mesyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzodiazepine
Alternate Name(s) 6-(4-fluorophenyl)-7-methylsulfonyl-5,6-dihydro-[1,2,3,4]tetrazolo[1,5-d][1,4]benzodiazepine 6-(4-fluorophenyl)-7-methylsulfonyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzodiazepine
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Formula C16H14FN5O2S
InChI InChI=1S/C16H14FN5O2S/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 CEQOGWPZYUCCFA-UHFFFAOYSA-N
Molecular Weight 359.379 g/mol
SMILES CS(N1C(C[n]2nnnc2-c2c1cccc2)c1ccc(cc1)F)(=O)=O
SPLASH splash10-0udi-0092000000-098fed60aa2ed7f89880
Source of Spectrum KC-0-3480-4
Wiley ID 829692