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5-CHLORO-2-METHYLTHIO-CYCLOOCTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID KEVvlNZfzE
InChI InChI=1S/C12H15ClN4S/c1-18-12-15-11-14-9-7-5-3-2-4-6-8(9)10(13)17(11)16-12/h2-7H2,1H3
InChIKey BNGOTULLOVGCKD-UHFFFAOYSA-N
Mol Weight 282.79 g/mol
Molecular Formula C12H15ClN4S
Exact Mass 282.070595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FaExCXHkwN4
Name 5-CHLORO-2-METHYLTHIO-CYCLOOCTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 2/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15ClN4S
InChI InChI=1S/C12H15ClN4S/c1-18-12-15-11-14-9-7-5-3-2-4-6-8(9)10(13)17(11)16-12/h2-7H2,1H3
InChIKey BNGOTULLOVGCKD-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,40,813(2003)
Literature Reference DOI 10.1002/jhet.5570400510
Molecular Weight 282.791 g/mol
Solvent CDCl3
Source File Reference UWMS22702