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

*Links on SpectraBase are not permalinks.
6-BENZYL-2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ISOPROPYL-PYRIMIDINE-4(1H)-ONE
SpectraBase Compound ID HfkJT9Edycj
InChI InChI=1S/C19H25BrN2O3S/c1-14(2)17-16(12-15-6-4-3-5-7-15)21-19(22-18(17)23)26-11-10-25-13-24-9-8-20/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
InChIKey XBZSOIPFFCHSLW-UHFFFAOYSA-N
Mol Weight 441.38 g/mol
Molecular Formula C19H25BrN2O3S
Exact Mass 440.076927 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 GUsZSXy8UvJ
Name 6-BENZYL-2-(7-BROMO-3,5-DIOXAHEPTYL)-THIO-5-ISOPROPYL-PYRIMIDINE-4(1H)-ONE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25BrN2O3S
InChI InChI=1S/C19H25BrN2O3S/c1-14(2)17-16(12-15-6-4-3-5-7-15)21-19(22-18(17)23)26-11-10-25-13-24-9-8-20/h3-7,14H,8-13H2,1-2H3,(H,21,22,23)
InChIKey XBZSOIPFFCHSLW-UHFFFAOYSA-N
Literature Reference Author O.S.PEDERSEN,L.PETERSEN,M.BRANDT,C.NIELSEN,E.B.PEDERSEN
Literature Reference Citation MH.CHEM.,130,1499(1999)
Literature Reference DOI 10.1007/s007060050310
Molecular Weight 441.383 g/mol
Solvent CDCl3
Source File Reference UWCS25486