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

*Links on SpectraBase are not permalinks.

(2S,8R,9S)-2-Bromo-9-propionyloxyruban-3-one

View entire compound with spectra: 1 NMR

(2S,8R,9S)-2-Bromo-9-propionyloxyruban-3-one
SpectraBase Compound ID FMO44tDGwEx
InChI InChI=1S/C21H23BrN2O4/c1-3-18(25)28-20(17-10-12-7-9-24(17)21(22)19(12)26)14-6-8-23-16-5-4-13(27-2)11-15(14)16/h4-6,8,11-12,17,20-21H,3,7,9-10H2,1-2H3/t12-,17+,20-,21-/m0/s1
InChIKey BAKPBDPUFLHPKA-OEBPFPKTSA-N
Mol Weight 447.33 g/mol
Molecular Formula C21H23BrN2O4
Exact Mass 446.08412 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 5U5uwZhzJEU
Name (2S,8R,9S)-2-BROMO-9-PROPIONYLOXYRUBAN-3-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23BrN2O4
InChI InChI=1S/C21H23BrN2O4/c1-3-18(25)28-20(17-10-12-7-9-24(17)21(22)19(12)26)14-6-8-23-16-5-4-13(27-2)11-15(14)16/h4-6,8,11-12,17,20-21H,3,7,9-10H2,1-2H3/t12-,17+,20-,21-/m0/s1
InChIKey BAKPBDPUFLHPKA-OEBPFPKTSA-N
Literature Reference Author P.LANGER,J.FRACKENPOHL,H.M.R.HOFFMANN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,801(1998)
Literature Reference DOI 10.1039/a705561g
Molecular Weight 447.329 g/mol
Solvent CDCl3
Source File Reference UWGE3109