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2-(4-ACETYLBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL

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2-(4-ACETYLBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
SpectraBase Compound ID BQQRIU5LaLY
InChI InChI=1S/C20H15F2IN2O2S/c1-11(26)14-4-2-12(3-5-14)10-28-20-24-17(18(23)19(27)25-20)8-13-6-15(21)9-16(22)7-13/h2-7,9H,8,10H2,1H3,(H,24,25,27)
InChIKey IGEURURRVCTVBQ-UHFFFAOYSA-N
Mol Weight 512.31 g/mol
Molecular Formula C20H15F2IN2O2S
Exact Mass 511.9867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NnJKvhFCZ9
Name 2-(4-ACETYLBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
Compound Number 8I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15F2IN2O2S
InChI InChI=1S/C20H15F2IN2O2S/c1-11(26)14-4-2-12(3-5-14)10-28-20-24-17(18(23)19(27)25-20)8-13-6-15(21)9-16(22)7-13/h2-7,9H,8,10H2,1H3,(H,24,25,27)
InChIKey IGEURURRVCTVBQ-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 512.313 g/mol
Solvent DMSO-D6
Source File Reference UWIR15022