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4-(1,2,4-TRIAZOL-1-YL)-1-(1,6-HEPTADIEN-4-YL)-PYRIMIDIN-2-(1H)-ONE

View entire compound with spectra: 1 NMR

4-(1,2,4-TRIAZOL-1-YL)-1-(1,6-HEPTADIEN-4-YL)-PYRIMIDIN-2-(1H)-ONE
SpectraBase Compound ID 58vw29pZeyh
InChI InChI=1S/C13H15N5O/c1-3-5-11(6-4-2)17-8-7-12(16-13(17)19)18-10-14-9-15-18/h3-4,7-11H,1-2,5-6H2
InChIKey GRJJGNPFBRMQDU-UHFFFAOYSA-N
Mol Weight 257.3 g/mol
Molecular Formula C13H15N5O
Exact Mass 257.12766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQvS2IJauKp
Name 4-(1,2,4-TRIAZOL-1-YL)-1-(1,6-HEPTADIEN-4-YL)-PYRIMIDIN-2-(1H)-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N5O
InChI InChI=1S/C13H15N5O/c1-3-5-11(6-4-2)17-8-7-12(16-13(17)19)18-10-14-9-15-18/h3-4,7-11H,1-2,5-6H2
InChIKey GRJJGNPFBRMQDU-UHFFFAOYSA-N
Literature Reference Author J.Y.TSAI,K.H.BOUHADIR,J.L.ZHOU,T.R.WEBB,Y.SUN,P.B.SHEVLIN
Literature Reference Citation J.ORG.CHEM.,68,1235(2003)
Literature Reference DOI 10.1021/jo026379k
Molecular Weight 257.295 g/mol
Solvent Unknown
Source File Reference UWVN25456