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METHYL-(4-THIOXO-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-YLIDENE)-ACETATE
SpectraBase Compound ID Hq6tL9eNZ2c
InChI InChI=1S/C12H12N2O2S/c1-16-12(15)7-8-6-11(17)14-10-5-3-2-4-9(10)13-8/h2-5,7,13H,6H2,1H3,(H,14,17)/b8-7+
InChIKey KRGRDDATJDFHJB-BQYQJAHWSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2x1tfbcPVQ
Name METHYL-(4-THIOXO-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-YLIDENE)-ACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-16-12(15)7-8-6-11(17)14-10-5-3-2-4-9(10)13-8/h2-5,7,13H,6H2,1H3,(H,14,17)/b8-7+
InChIKey KRGRDDATJDFHJB-BQYQJAHWSA-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 248.299 g/mol
Sample ID 67618
Solvent DMSO-D6