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6,7-DIHYDRO-7-METHYLSULFONYL-6-(4-METHOXYPHENYL)-5H-TETRAZOLO-[1,5-D]-[1,4]-BENZODIAZEPINE
SpectraBase Compound ID 8bFSQd3ruRk
InChI InChI=1S/C17H17N5O3S/c1-25-13-9-7-12(8-10-13)16-11-21-17(18-19-20-21)14-5-3-4-6-15(14)22(16)26(2,23)24/h3-10,16H,11H2,1-2H3
InChIKey HTNRUHDEXHCQSI-UHFFFAOYSA-N
Mol Weight 371.42 g/mol
Molecular Formula C17H17N5O3S
Exact Mass 371.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5NLujCIikP
Name 6-(4-Methoxyphenyl)-7-methylsulfonyl-5,6-dihydro-[1,2,3,4]tetrazolo[1,5-d][1,4]benzodiazepine
Alternate Name(s) 6-(4-Methoxyphenyl)-7-methylsulfonyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzodiazepine 7-Mesyl-6-(4-methoxyphenyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzodiazepine
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Formula C17H17N5O3S
InChI InChI=1S/C17H17N5O3S/c1-25-13-9-7-12(8-10-13)16-11-21-17(18-19-20-21)14-5-3-4-6-15(14)22(16)26(2,23)24/h3-10,16H,11H2,1-2H3
InChIKey HTNRUHDEXHCQSI-UHFFFAOYSA-N
Molecular Weight 371.415 g/mol
SMILES CS(N1C(C[n]2nnnc2-c2c1cccc2)c1ccc(cc1)OC)(=O)=O
SPLASH splash10-03di-0091000000-e676ca333b7863eef45c
Source of Spectrum KC-0-3481-4
Wiley ID 829683