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

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(2S,8R,9S)-2-Bromo-9-pivaloyloxyruban-3-one
SpectraBase Compound ID 4js1HZHcaKQ
InChI InChI=1S/C23H27BrN2O4/c1-23(2,3)22(28)30-20(18-11-13-8-10-26(18)21(24)19(13)27)15-7-9-25-17-6-5-14(29-4)12-16(15)17/h5-7,9,12-13,18,20-21H,8,10-11H2,1-4H3/t13-,18+,20-,21+/m0/s1
InChIKey TVQBMJVFWWMWOG-NHOOAETJSA-N
Mol Weight 475.38 g/mol
Molecular Formula C23H27BrN2O4
Exact Mass 474.11542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21T4JP6MMCm
Name (2S,8R,9S)-2-BROMO-9-PIVALOYLOXYRUBAN-3-ONE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27BrN2O4
InChI InChI=1S/C23H27BrN2O4/c1-23(2,3)22(28)30-20(18-11-13-8-10-26(18)21(24)19(13)27)15-7-9-25-17-6-5-14(29-4)12-16(15)17/h5-7,9,12-13,18,20-21H,8,10-11H2,1-4H3/t13-,18+,20-,21+/m0/s1
InChIKey TVQBMJVFWWMWOG-NHOOAETJSA-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 475.382 g/mol
Solvent CDCl3
Source File Reference UWGE3111