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2-(4-NITROBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
SpectraBase Compound ID KXf203NAIxX
InChI InChI=1S/C18H12F2IN3O3S/c19-12-5-11(6-13(20)8-12)7-15-16(21)17(25)23-18(22-15)28-9-10-1-3-14(4-2-10)24(26)27/h1-6,8H,7,9H2,(H,22,23,25)
InChIKey NOAVZRNITIPDEL-UHFFFAOYSA-N
Mol Weight 515.27 g/mol
Molecular Formula C18H12F2IN3O3S
Exact Mass 514.961214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEs23tHeNdo
Name 2-(4-NITROBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12F2IN3O3S
InChI InChI=1S/C18H12F2IN3O3S/c19-12-5-11(6-13(20)8-12)7-15-16(21)17(25)23-18(22-15)28-9-10-1-3-14(4-2-10)24(26)27/h1-6,8H,7,9H2,(H,22,23,25)
InChIKey NOAVZRNITIPDEL-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 515.273 g/mol
Solvent DMSO-D6
Source File Reference UWIR15020