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5-ACETONYL-2-BENZYLTHIO-7-METHYL-1,2,4-TRIAZOLO-[1.5-A]-PYRIMIDINE
SpectraBase Compound ID E8EIDxKW6e1
InChI InChI=1S/C16H16N4OS/c1-11-8-14(9-12(2)21)20-15(17-11)18-16(19-20)22-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKey DKQDRFAOVWTTNJ-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C16H16N4OS
Exact Mass 312.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68iFnr9mKnW
Name 5-ACETONYL-2-BENZYLTHIO-7-METHYL-1,2,4-TRIAZOLO-[1.5-A]-PYRIMIDINE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N4OS
InChI InChI=1S/C16H16N4OS/c1-11-8-14(9-12(2)21)20-15(17-11)18-16(19-20)22-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKey DKQDRFAOVWTTNJ-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 312.389 g/mol
Solvent DMSO-D6
Source File Reference UWMZ4487