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1,4-Dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione

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1,4-Dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
SpectraBase Compound ID GQlrZoLEMbt
InChI InChI=1S/C11H13N3O2S/c1-7-5-11(17)13(2)10-4-3-8(14(15)16)6-9(10)12-7/h3-4,6-7,12H,5H2,1-2H3
InChIKey JWIPRJFLUKZUOR-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C11H13N3O2S
Exact Mass 251.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hfdmBAsQV7
Name 1,4-Dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
CAS Registry Number 123229-12-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H13N3O2S
InChI InChI=1S/C11H13N3O2S/c1-7-5-11(17)13(2)10-4-3-8(14(15)16)6-9(10)12-7/h3-4,6-7,12H,5H2,1-2H3
InChIKey JWIPRJFLUKZUOR-UHFFFAOYSA-N
Instrument Name Bruker AM-400
Literature Reference F. Malik, M. Hassan, D. Rosenbaum, H. Duddeck, Magn. Res. Chem. 27, 391 (1989).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3