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2-(4-NITROPHENETHYLTHIO)-6-(3,5-DIFLUOROBENZYL)-URACIL
SpectraBase Compound ID GNTCBm7WJjV
InChI InChI=1S/C19H15F2N3O3S/c20-14-7-13(8-15(21)10-14)9-16-11-18(25)23-19(22-16)28-6-5-12-1-3-17(4-2-12)24(26)27/h1-4,7-8,10-11H,5-6,9H2,(H,22,23,25)
InChIKey NKIZUVZSOZCHHH-UHFFFAOYSA-N
Mol Weight 403.4 g/mol
Molecular Formula C19H15F2N3O3S
Exact Mass 403.080219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmNuf3LObuh
Name 2-(4-NITROPHENETHYLTHIO)-6-(3,5-DIFLUOROBENZYL)-URACIL
Compound Number 7O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H15F2N3O3S
InChI InChI=1S/C19H15F2N3O3S/c20-14-7-13(8-15(21)10-14)9-16-11-18(25)23-19(22-16)28-6-5-12-1-3-17(4-2-12)24(26)27/h1-4,7-8,10-11H,5-6,9H2,(H,22,23,25)
InChIKey NKIZUVZSOZCHHH-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 403.403 g/mol
Solvent DMSO-D6
Source File Reference UWIR15014