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LLALEXXCKCFLES-RNJXMRFFSA-N
SpectraBase Compound ID 4LD57RJKlTh
InChI InChI=1S/C9H16O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKey LLALEXXCKCFLES-RNJXMRFFSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTJVSnh3AaF
Name LLALEXXCKCFLES-RNJXMRFFSA-N
Compound Number (3'*R,4'*R,5'*S)-#A1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKey LLALEXXCKCFLES-RNJXMRFFSA-N
Literature Reference Author M.LORENZO,I.BRITO,M.CUETO,L.D.CROZ,J.DARIAS
Literature Reference Citation ORG.LETTERS,8,5001(2006)
Literature Reference DOI 10.1021/ol061572c
Molecular Weight 172.224 g/mol
Sample ID 61913
Solvent CDCl3