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(5R,6R,E)-5,6-DIHYDROXY-7-METHYLOCT-3-EN-2-ONE
SpectraBase Compound ID Acocncf9VEM
InChI InChI=1S/C9H16O3/c1-6(2)9(12)8(11)5-4-7(3)10/h4-6,8-9,11-12H,1-3H3/b5-4+/t8-,9-/m1/s1
InChIKey DFILCOCJJSQRKP-HOMPQPGZSA-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 IVjIkmNM5zS
Name (5R,6R,E)-5,6-DIHYDROXY-7-METHYLOCT-3-EN-2-ONE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)9(12)8(11)5-4-7(3)10/h4-6,8-9,11-12H,1-3H3/b5-4+/t8-,9-/m1/s1
InChIKey DFILCOCJJSQRKP-HOMPQPGZSA-N
Literature Reference Author P.WALLESER,R.BRUECKNER
Literature Reference Citation EUR.J.ORG.CHEM.,2010,4802(2010)
Literature Reference DOI 10.1002/ejoc.201000280
Molecular Weight 172.224 g/mol
Solvent CDCl3
Source File Reference UWLU85986