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3-BENZOYL-4,5,6,7-TETRAHYDRO-[1,2,3]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID JerdaNk096h
InChI InChI=1S/C12H12N4O/c17-11(9-5-2-1-3-6-9)10-12-13-7-4-8-16(12)15-14-10/h1-3,5-6,13H,4,7-8H2
InChIKey RDDKKSBUUCNVLY-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C12H12N4O
Exact Mass 228.101111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzWxtJrviOm
Name 3-BENZOYL-4,5,6,7-TETRAHYDRO-[1,2,3]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4O
InChI InChI=1S/C12H12N4O/c17-11(9-5-2-1-3-6-9)10-12-13-7-4-8-16(12)15-14-10/h1-3,5-6,13H,4,7-8H2
InChIKey RDDKKSBUUCNVLY-UHFFFAOYSA-N
Literature Reference Author Z.T.HUANG,M.X.WANG
Literature Reference Citation J.ORG.CHEM.,57,184(1992)
Literature Reference DOI 10.1021/jo00027a035
Molecular Weight 228.253 g/mol
Solvent CDCl3
Source File Reference UWCS2132