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(1R,4S,5R,6S)-6-HYDROXY-4-PIVALOYLOXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPTAN-2-ONE
SpectraBase Compound ID IGxfA8D1o1m
InChI InChI=1S/C12H18O5/c1-12(2,3)11(15)16-5-8-9-6(4-7(9)13)10(14)17-8/h6-9,13H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKey CSSGWTMQDDTQGI-BZNPZCIMSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ece2paCRQsm
Name (1R,4S,5R,6S)-6-HYDROXY-4-PIVALOYLOXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPTAN-2-ONE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-12(2,3)11(15)16-5-8-9-6(4-7(9)13)10(14)17-8/h6-9,13H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKey CSSGWTMQDDTQGI-BZNPZCIMSA-N
Literature Reference Author R.MIRALLES-LLUMA,A.FIGUERAS,F.BUSQUE,A.ALVAREZ-LARENA,J.BALZ ARINI,M.FIGUEREDO,
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7761(2013)
Literature Reference DOI 10.1002/ejoc.201301097
Molecular Weight 242.272 g/mol
Solvent CDCl3
Source File Reference UWBT20208