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[6-(13)-C,1,3-(15)-N-(2)]-1-PIVALOYLOXYMETHYL-4-(3-NITROTRIAZOL-1-YL)-2-PYRIMIDONE

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[6-(13)-C,1,3-(15)-N-(2)]-1-PIVALOYLOXYMETHYL-4-(3-NITROTRIAZOL-1-YL)-2-PYRIMIDONE
SpectraBase Compound ID HRK19fPS2k9
InChI InChI=1S/C12H14N6O5/c1-12(2,3)9(19)23-7-16-5-4-8(14-11(16)20)17-6-13-10(15-17)18(21)22/h4-6H,7H2,1-3H3/i5+1,14+1,16+1
InChIKey HFEAITSUSJUFAW-NEQAMPGOSA-N
Mol Weight 325.26 g/mol
Molecular Formula C1113CH14N415N2O5
Exact Mass 325.099992 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HreafqCDvUD
Name [6-(13)-C,1,3-(15)-N-(2)]-1-PIVALOYLOXYMETHYL-4-(3-NITROTRIAZOL-1-YL)-2-PYRIMIDONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1113CH14N415N2O5
InChI InChI=1S/C12H14N6O5/c1-12(2,3)9(19)23-7-16-5-4-8(14-11(16)20)17-6-13-10(15-17)18(21)22/h4-6H,7H2,1-3H3/i5+1,14+1,16+1
InChIKey HFEAITSUSJUFAW-NEQAMPGOSA-N
Literature Reference Author I.M.LAGOJA,S.POCHET,V.BOUDOU,R.LITTLE,E.LESCRINIER,J.ROZENSK I,P.HERDEWIJN
Literature Reference Citation J.ORG.CHEM.,68,1867(2003)
Literature Reference DOI 10.1021/jo0205098
Solvent DMSO-D6
Source File Reference UWVN25551