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[N1-(5-CHLOROPENT-4-ENE-2-YNE-1-YL)-N3-(PROP-2-YNE-1-YL)]-URACIL
SpectraBase Compound ID 9KQVanqD33U
InChI InChI=1S/C12H9ClN2O2/c1-2-8-15-11(16)6-10-14(12(15)17)9-5-3-4-7-13/h1,4,6-7,10H,8-9H2/b7-4-
InChIKey QHRPKQUIEQZGKC-DAXSKMNVSA-N
Mol Weight 248.67 g/mol
Molecular Formula C12H9ClN2O2
Exact Mass 248.035255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3HTjPFUxFC
Name [N1-(5-CHLOROPENT-4-ENE-2-YNE-1-YL)-N3-(PROP-2-YNE-1-YL)]-URACIL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9ClN2O2
InChI InChI=1S/C12H9ClN2O2/c1-2-8-15-11(16)6-10-14(12(15)17)9-5-3-4-7-13/h1,4,6-7,10H,8-9H2/b7-4-
InChIKey QHRPKQUIEQZGKC-DAXSKMNVSA-N
Literature Reference Author G.H.HAKIMELAHI,G.S.GASSANOV,M.H.HSU,J.R.HWU,S.HAKIMELAHI
Literature Reference Citation BIOORG.MED.CHEM.,10,1321(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00393-5
Molecular Weight 248.669 g/mol
Solvent CDCl3
Source File Reference UWLU31071