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5-CHLORO-2-METHYLTHIO-CYCLODODECA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID EIylBZ4a5TT
InChI InChI=1S/C16H23ClN4S/c1-22-16-19-15-18-13-11-9-7-5-3-2-4-6-8-10-12(13)14(17)21(15)20-16/h2-11H2,1H3
InChIKey CAJUXLMULOKFBQ-UHFFFAOYSA-N
Mol Weight 338.9 g/mol
Molecular Formula C16H23ClN4S
Exact Mass 338.133196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6L6xWgIYHGD
Name 5-CHLORO-2-METHYLTHIO-CYCLODODECA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 2/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23ClN4S
InChI InChI=1S/C16H23ClN4S/c1-22-16-19-15-18-13-11-9-7-5-3-2-4-6-8-10-12(13)14(17)21(15)20-16/h2-11H2,1H3
InChIKey CAJUXLMULOKFBQ-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 338.898 g/mol
Solvent CDCl3
Source File Reference UWMS22703