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(8R,9S)-9-Isobutyryloxyruban-3-one

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(8R,9S)-9-Isobutyryloxyruban-3-one
SpectraBase Compound ID CC4SY8ryhTe
InChI InChI=1S/C22H26N2O4/c1-13(2)22(26)28-21(19-10-14-7-9-24(19)12-20(14)25)16-6-8-23-18-5-4-15(27-3)11-17(16)18/h4-6,8,11,13-14,19,21H,7,9-10,12H2,1-3H3/t14-,19+,21-/m0/s1
InChIKey QCAAVTUXWXLEKD-ZKYUUJBMSA-N
Mol Weight 382.46 g/mol
Molecular Formula C22H26N2O4
Exact Mass 382.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECKoPEtuI3
Name (8R,9S)-9-ISOBUTYRYLOXYRUBAN-3-ONE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O4
InChI InChI=1S/C22H26N2O4/c1-13(2)22(26)28-21(19-10-14-7-9-24(19)12-20(14)25)16-6-8-23-18-5-4-15(27-3)11-17(16)18/h4-6,8,11,13-14,19,21H,7,9-10,12H2,1-3H3/t14-,19+,21-/m0/s1
InChIKey QCAAVTUXWXLEKD-ZKYUUJBMSA-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 382.459 g/mol
Solvent CDCl3
Source File Reference UWGE3103