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5-CHLORO-2-METHYLTHIO-CYCLOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID 6sxv67K0rPE
InChI InChI=1S/C11H13ClN4S/c1-17-11-14-10-13-8-6-4-2-3-5-7(8)9(12)16(10)15-11/h2-6H2,1H3
InChIKey AHAPQYBDBARNLA-UHFFFAOYSA-N
Mol Weight 268.77 g/mol
Molecular Formula C11H13ClN4S
Exact Mass 268.054945 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOKQ5tW483H
Name 5-CHLORO-2-METHYLTHIO-CYCLOHEPTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 2/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13ClN4S
InChI InChI=1S/C11H13ClN4S/c1-17-11-14-10-13-8-6-4-2-3-5-7(8)9(12)16(10)15-11/h2-6H2,1H3
InChIKey AHAPQYBDBARNLA-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 268.764 g/mol
Solvent CDCl3
Source File Reference UWMS22701