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6,7,8,9,10,11-HEXAHYDRO-2-METHYLTHIO-CYClOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5-ONE
SpectraBase Compound ID 97cGIhcm0A8
InChI InChI=1S/C11H14N4OS/c1-17-11-13-10-12-8-6-4-2-3-5-7(8)9(16)15(10)14-11/h2-6H2,1H3,(H,12,13,14)
InChIKey JSBLGKLPRYCLOJ-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C11H14N4OS
Exact Mass 250.088832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID muCDPwcCRq
Name 6,7,8,9,10,11-HEXAHYDRO-2-METHYLTHIO-CYClOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDIN-5-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N4OS
InChI InChI=1S/C11H14N4OS/c1-17-11-13-10-12-8-6-4-2-3-5-7(8)9(16)15(10)14-11/h2-6H2,1H3,(H,12,13,14)
InChIKey JSBLGKLPRYCLOJ-UHFFFAOYSA-N
Literature Reference Author J.REITER,G.BERECZ,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,28,721(1991)
Literature Reference DOI 10.1002/jhet.5570280329
Molecular Weight 250.318 g/mol
Solvent DMSO-D6:CDCl3=1:3
Source File Reference UWCS19288