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5-allyl-5-(2-hydroxypropyl)-1-methylbarbituric acid, isomer
SpectraBase Compound ID 9ZawoKac8ZI
InChI InChI=1S/C11H16N2O4/c1-4-5-11(6-7(2)14)8(15)12-10(17)13(3)9(11)16/h4,7,14H,1,5-6H2,2-3H3,(H,12,15,17)
InChIKey LYRJNDHLZUYGEO-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C11H16N2O4
Exact Mass 240.111007 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Hax841oIXX
Name 5-ALLYL-5-(2-HYDROXYPROPYL)-1-METHYL-2,4,6-(1H,3H,5H)-PYRIMIDINETRIONE;DIASTEREOMER-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16N2O4
InChI InChI=1S/C11H16N2O4/c1-4-5-11(6-7(2)14)8(15)12-10(17)13(3)9(11)16/h4,7,14H,1,5-6H2,2-3H3,(H,12,15,17)
InChIKey LYRJNDHLZUYGEO-UHFFFAOYSA-N
Literature Reference Author A.O.K.NIEMINEN,M.RAUTIO,E.RAHKAMAA
Literature Reference Citation MAGN.RES.CHEM.,23,419(1985)
Literature Reference DOI 10.1002/mrc.1260230603
Solvent DMSO-D6
Source File Reference UWRH775