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6-ACETYL-2-(4-CHLOROBENZYLTHIO)-5,7-DIMETHYL-1,2,4-TRIAZOLO-[1.5-A]-PYRIMIDINE
SpectraBase Compound ID 2gz5w6WYuK2
InChI InChI=1S/C16H15ClN4OS/c1-9-14(11(3)22)10(2)21-15(18-9)19-16(20-21)23-8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3
InChIKey ONJLQEPMIXRHIT-UHFFFAOYSA-N
Mol Weight 346.84 g/mol
Molecular Formula C16H15ClN4OS
Exact Mass 346.06551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBP4fEToWd0
Name 6-ACETYL-2-(4-CHLOROBENZYLTHIO)-5,7-DIMETHYL-1,2,4-TRIAZOLO-[1.5-A]-PYRIMIDINE
Compound Number 14/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15ClN4OS
InChI InChI=1S/C16H15ClN4OS/c1-9-14(11(3)22)10(2)21-15(18-9)19-16(20-21)23-8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3
InChIKey ONJLQEPMIXRHIT-UHFFFAOYSA-N
Literature Reference Author J.REITER,L.PONGO,I.KOEVESDI,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,32,407(1995)
Literature Reference DOI 10.1002/jhet.5570320206
Molecular Weight 346.834 g/mol
Solvent DMSO-D6
Source File Reference UWMZ4481