For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-4-(METHYLTHIO)-BUTANOATE
SpectraBase Compound ID kTJQ8dnoGt
InChI InChI=1S/C12H16FN3O5S/c1-21-11(19)8(3-4-22-2)14-9(17)6-16-5-7(13)10(18)15-12(16)20/h5,8H,3-4,6H2,1-2H3,(H,14,17)(H,15,18,20)/t8-/m0/s1
InChIKey JGMSQCVWJPVNQB-QMMMGPOBSA-N
Mol Weight 333.33 g/mol
Molecular Formula C12H16FN3O5S
Exact Mass 333.07947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7udwZ7hqkwW
Name (S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-4-(METHYLTHIO)-BUTANOATE
Compound Number 2E-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16FN3O5S
InChI InChI=1S/C12H16FN3O5S/c1-21-11(19)8(3-4-22-2)14-9(17)6-16-5-7(13)10(18)15-12(16)20/h5,8H,3-4,6H2,1-2H3,(H,14,17)(H,15,18,20)/t8-/m0/s1
InChIKey JGMSQCVWJPVNQB-QMMMGPOBSA-N
Literature Reference Author J.XIONG,H.F.ZHU,Y.J.ZHAO,Y.J.LAN,J.W.JIANG,J.J.YANG,S.F.ZHAN G
Literature Reference Citation MOLECULES,14,3142(2009)
Literature Reference DOI 10.3390/molecules14093142
Molecular Weight 333.335 g/mol
Sample ID 69675
Solvent DMSO-D6