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5-ACETYL-3-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPINE-2-THIONE
SpectraBase Compound ID Fv6qVskYkG8
InChI InChI=1S/C12H14N2OS/c1-8-7-14(9(2)15)11-6-4-3-5-10(11)13-12(8)16/h3-6,8H,7H2,1-2H3,(H,13,16)
InChIKey SEKLLXUEKZGXLL-UHFFFAOYSA-N
Mol Weight 234.32 g/mol
Molecular Formula C12H14N2OS
Exact Mass 234.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqxQQdsyebf
Name 5-ACETYL-3-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPINE-2-THIONE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N2OS
InChI InChI=1S/C12H14N2OS/c1-8-7-14(9(2)15)11-6-4-3-5-10(11)13-12(8)16/h3-6,8H,7H2,1-2H3,(H,13,16)
InChIKey SEKLLXUEKZGXLL-UHFFFAOYSA-N
Literature Reference Author R.JANCIENE,Z.STUMBREVICIUTE,D.PODENIENE,B.D.PUODZIUNAITE,S.B LACK,M.HUSBANDS
Literature Reference Citation J.HETCYCL.CHEM.,43,979(2006)
Literature Reference DOI 10.1002/jhet.5570430424
Molecular Weight 234.316 g/mol
Sample ID 67605
Solvent CDCl3