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N,N'-BIS-[3-METHOXY-3-(5-FLUOROURACIL-1-YL)-PROPIONYL]-ETHYLENEDIAMINE
SpectraBase Compound ID ITCYEPxq3b0
InChI InChI=1S/C18H22F2N6O8/c1-33-13(25-7-9(19)15(29)23-17(25)31)5-11(27)21-3-4-22-12(28)6-14(34-2)26-8-10(20)16(30)24-18(26)32/h7-8,13-14H,3-6H2,1-2H3,(H,21,27)(H,22,28)(H,23,29,31)(H,24,30,32)
InChIKey YEWQHLXBERXEBT-UHFFFAOYSA-N
Mol Weight 488.4 g/mol
Molecular Formula C18H22F2N6O8
Exact Mass 488.146718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dcstc6Z8yhk
Name N,N'-BIS-[3-METHOXY-3-(5-FLUOROURACIL-1-YL)-PROPIONYL]-ETHYLENEDIAMINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22F2N6O8
InChI InChI=1S/C18H22F2N6O8/c1-33-13(25-7-9(19)15(29)23-17(25)31)5-11(27)21-3-4-22-12(28)6-14(34-2)26-8-10(20)16(30)24-18(26)32/h7-8,13-14H,3-6H2,1-2H3,(H,21,27)(H,22,28)(H,23,29,31)(H,24,30,32)
InChIKey YEWQHLXBERXEBT-UHFFFAOYSA-N
Literature Reference Author J.F.DOMINGUEZ,J.A.MARCHAL,A.CORREA,E.CARRILLO,H.BOULAIZ,A.AR ANEGA,M.A.GALLO,A.ES
Literature Reference Citation BIOORG.MED.CHEM.,11,315(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00464-9
Molecular Weight 488.405 g/mol
Sample ID 38492
Solvent DMSO-D6