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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOElVfysZEj
Name 6-(4-BROMOPHENYL)-6,7-DIHYDRO-7-METHYLSULFONYL-6-PHENYL-5H-TETRAZOLO-[1,5-D]-[1,4]-BENZODIAZEPINE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author M.J.MPHAHLELE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3477(1999)
Literature Reference DOI 10.1039/a906449d
Molecular Weight 420.283 g/mol
Solvent DMSO-D6