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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOC9JJpMnUM
Name 6,7-DIHYDRO-7-METHYLSULFONYL-6-(4-METHOXYPHENYL)-5H-TETRAZOLO-[1,5-D]-[1,4]-BENZODIAZEPINE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author M.J.MPHAHLELE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3477(1999)
Literature Reference DOI 10.1039/a906449d
Molecular Weight 371.414 g/mol
Solvent CDCl3