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(S,E)-6-HYDROXY-7-METHYLOCT-3-EN-2-ONE;MAJOR-ISOMER
SpectraBase Compound ID 5SRal9CfaMM
InChI InChI=1S/C9H16O2/c1-7(2)9(11)6-4-5-8(3)10/h4-5,7,9,11H,6H2,1-3H3/b5-4+/t9-/m0/s1
InChIKey XYFBJODYOLRNAC-MOVJSRMASA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HszUfXZq7i0
Name (S,E)-6-HYDROXY-7-METHYLOCT-3-EN-2-ONE;MAJOR-ISOMER
Compound Number 28B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-7(2)9(11)6-4-5-8(3)10/h4-5,7,9,11H,6H2,1-3H3/b5-4+/t9-/m0/s1
InChIKey XYFBJODYOLRNAC-MOVJSRMASA-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 156.225 g/mol
Solvent CDCl3
Source File Reference UWLU85999