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2-(4-METHOXYCARBONYLBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
SpectraBase Compound ID AsLXt9nRPTI
InChI InChI=1S/C20H15F2IN2O3S/c1-28-19(27)13-4-2-11(3-5-13)10-29-20-24-16(17(23)18(26)25-20)8-12-6-14(21)9-15(22)7-12/h2-7,9H,8,10H2,1H3,(H,24,25,26)
InChIKey UKKZDKXDMQKFPA-UHFFFAOYSA-N
Mol Weight 528.31 g/mol
Molecular Formula C20H15F2IN2O3S
Exact Mass 527.981615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNuhrE8P3wI
Name 2-(4-METHOXYCARBONYLBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
Compound Number 8L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15F2IN2O3S
InChI InChI=1S/C20H15F2IN2O3S/c1-28-19(27)13-4-2-11(3-5-13)10-29-20-24-16(17(23)18(26)25-20)8-12-6-14(21)9-15(22)7-12/h2-7,9H,8,10H2,1H3,(H,24,25,26)
InChIKey UKKZDKXDMQKFPA-UHFFFAOYSA-N
Literature Reference Author L.ZHANG,X.TANG,Y.CAO,S.WU,Y.ZHANG,J.ZHAO,Y.GUO,C.TIAN,Z.ZHAN G,J.LIU,X.WANG
Literature Reference Citation MOLECULES,19,7104(2014)
Literature Reference DOI 10.3390/molecules19067104
Molecular Weight 528.312 g/mol
Solvent DMSO-D6
Source File Reference UWIR15023