John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=L71IuD1R3Js SpectraBase Spectrum ID=2VkrezKNfJM

(accessed ).
2-METHYL-4-THIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBOTHIALDEHYDE;ROTAMER-1
SpectraBase Compound ID L71IuD1R3Js
InChI InChI=1S/C11H12N2S2/c1-8-6-11(15)12-9-4-2-3-5-10(9)13(8)7-14/h2-5,7-8H,6H2,1H3,(H,12,15)
InChIKey SGXDSYSNTWFSOC-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C11H12N2S2
Exact Mass 236.044192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VkrezKNfJM
Name 2-METHYL-4-THIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBOTHIALDEHYDE;ROTAMER-2
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2S2
InChI InChI=1S/C11H12N2S2/c1-8-6-11(15)12-9-4-2-3-5-10(9)13(8)7-14/h2-5,7-8H,6H2,1H3,(H,12,15)
InChIKey SGXDSYSNTWFSOC-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 236.350 g/mol
Sample ID 67621
Solvent CDCl3
SpectraBase Batch ID 5mE0FCmyPFa