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

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(2S,8R,9S)-2-Bromo-9-isobutyryloxyruban-3-one
SpectraBase Compound ID GR8lO2LHBc7
InChI InChI=1S/C22H25BrN2O4/c1-12(2)22(27)29-20(18-10-13-7-9-25(18)21(23)19(13)26)15-6-8-24-17-5-4-14(28-3)11-16(15)17/h4-6,8,11-13,18,20-21H,7,9-10H2,1-3H3/t13-,18+,20-,21-/m0/s1
InChIKey NNAZNZJNRKIYFL-PMVWVRLTSA-N
Mol Weight 461.36 g/mol
Molecular Formula C22H25BrN2O4
Exact Mass 460.09977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2evYRdMAlSD
Name (2S,8R,9S)-2-BROMO-9-ISOBUTYRYLOXYRUBAN-3-ONE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25BrN2O4
InChI InChI=1S/C22H25BrN2O4/c1-12(2)22(27)29-20(18-10-13-7-9-25(18)21(23)19(13)26)15-6-8-24-17-5-4-14(28-3)11-16(15)17/h4-6,8,11-13,18,20-21H,7,9-10H2,1-3H3/t13-,18+,20-,21-/m0/s1
InChIKey NNAZNZJNRKIYFL-PMVWVRLTSA-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 461.356 g/mol
Solvent CDCl3
Source File Reference UWGE3110