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4-[(1H,3H)-5-METHYLPYRIMIDINE-2,4-DION-1-YL]-1,6-HEPTADIENE
SpectraBase Compound ID 8ytTeNgEN7R
InChI InChI=1S/C12H16N2O2/c1-4-6-10(7-5-2)14-8-9(3)11(15)13-12(14)16/h4-5,8,10H,1-2,6-7H2,3H3,(H,13,15,16)
InChIKey ZNTMDNIWXMJHGI-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68jq6NHi3TS
Name 4-[(1H,3H)-5-METHYLPYRIMIDINE-2,4-DION-1-YL]-1,6-HEPTADIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-4-6-10(7-5-2)14-8-9(3)11(15)13-12(14)16/h4-5,8,10H,1-2,6-7H2,3H3,(H,13,15,16)
InChIKey ZNTMDNIWXMJHGI-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 220.271 g/mol
Solvent DMSO-D6
Source File Reference UWVN25453