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2-(BENZYLOXYMETHYLTHIO)-5-IODINE-6-(3,5-DIMETHYLBENZYL)-URACIL
SpectraBase Compound ID BLzmVtG3JT2
InChI InChI=1S/C21H21IN2O2S/c1-14-8-15(2)10-17(9-14)11-18-19(22)20(25)24-21(23-18)27-13-26-12-16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,23,24,25)
InChIKey AUGGJSSLUZUKOQ-UHFFFAOYSA-N
Mol Weight 492.38 g/mol
Molecular Formula C21H21IN2O2S
Exact Mass 492.036844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IV8JFUiNpdd
Name 2-(BENZYLOXYMETHYLTHIO)-5-IODINE-6-(3,5-DIMETHYLBENZYL)-URACIL
Compound Number 8W
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21IN2O2S
InChI InChI=1S/C21H21IN2O2S/c1-14-8-15(2)10-17(9-14)11-18-19(22)20(25)24-21(23-18)27-13-26-12-16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,23,24,25)
InChIKey AUGGJSSLUZUKOQ-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 492.374 g/mol
Solvent DMSO-D6
Source File Reference UWIR15031