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METHYL-6-METHYL-3-HYDROXYHEPT-5-ENOATE
SpectraBase Compound ID LDiWfBYvR5C
InChI InChI=1S/C9H16O3/c1-7(2)4-5-8(10)6-9(11)12-3/h4,8,10H,5-6H2,1-3H3
InChIKey ILSQLQJFLPVSIH-UHFFFAOYSA-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 HQQ1EIBnF6y
Name METHYL-6-METHYL-3-HYDROXYHEPT-5-ENOATE
Compound Number 24B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(2)4-5-8(10)6-9(11)12-3/h4,8,10H,5-6H2,1-3H3
InChIKey ILSQLQJFLPVSIH-UHFFFAOYSA-N
Literature Reference Author S.B.BEDFORD,K.E.BELL,F.BENNETT,C.J.HAYES,D.W.KNIGHT,D.E.SHAW
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2143(1999)
Literature Reference DOI 10.1039/a902411e
Molecular Weight 172.224 g/mol
Solvent CDCl3
Source File Reference UWRU5551