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5-BENZYLTHIO-2-METHYLTHIO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID IMSqFaDt0Ts
InChI InChI=1S/C17H18N4S2/c1-22-17-19-16-18-14-10-6-5-9-13(14)15(21(16)20-17)23-11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey LGKMDZBABYJFMS-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C17H18N4S2
Exact Mass 342.097289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVYp849QH1y
Name 5-BENZYLTHIO-2-METHYLTHIO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 22/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4S2
InChI InChI=1S/C17H18N4S2/c1-22-17-19-16-18-14-10-6-5-9-13(14)15(21(16)20-17)23-11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey LGKMDZBABYJFMS-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,237(2001)
Literature Reference DOI 10.1002/jhet.5570380136
Molecular Weight 342.477 g/mol
Solvent CDCl3
Source File Reference UWLU21069