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

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1,4-Dimethyl-7-hydroxy-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
SpectraBase Compound ID 4UsLiACkmIQ
InChI InChI=1S/C11H14N2OS/c1-7-5-11(15)13(2)10-4-3-8(14)6-9(10)12-7/h3-4,6-7,12,14H,5H2,1-2H3
InChIKey OBRREJLSWWVMAT-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C11H14N2OS
Exact Mass 222.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wlERNUzxoc
Name 7-Hydroxy-1,4-dimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
CAS Registry Number 123229-13-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14N2OS
InChI InChI=1S/C11H14N2OS/c1-7-5-11(15)13(2)10-4-3-8(14)6-9(10)12-7/h3-4,6-7,12,14H,5H2,1-2H3
InChIKey OBRREJLSWWVMAT-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 CD3OD
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD