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2-(4-CYANOBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
SpectraBase Compound ID KHHmEp37h6K
InChI InChI=1S/C19H12F2IN3OS/c20-14-5-13(6-15(21)8-14)7-16-17(22)18(26)25-19(24-16)27-10-12-3-1-11(9-23)2-4-12/h1-6,8H,7,10H2,(H,24,25,26)
InChIKey HUXGYMFHEQFKGK-UHFFFAOYSA-N
Mol Weight 495.29 g/mol
Molecular Formula C19H12F2IN3OS
Exact Mass 494.971385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPzlAEN0ZMv
Name 2-(4-CYANOBENZYLTHIO)-5-IODINE-6-(3,5-DIFLUOROBENZYL)-URACIL
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H12F2IN3OS
InChI InChI=1S/C19H12F2IN3OS/c20-14-5-13(6-15(21)8-14)7-16-17(22)18(26)25-19(24-16)27-10-12-3-1-11(9-23)2-4-12/h1-6,8H,7,10H2,(H,24,25,26)
InChIKey HUXGYMFHEQFKGK-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 495.285 g/mol
Solvent DMSO-D6
Source File Reference UWIR15021