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(2S,4S)-4,5-DIMETHYL-2-HYDROXY-5-HEXENOIC ACID, METHYL ESTER
SpectraBase Compound ID KDtL1wWpsdZ
InChI InChI=1S/C9H16O3/c1-6(2)7(3)5-8(10)9(11)12-4/h7-8,10H,1,5H2,2-4H3
InChIKey UNELKAHQORUGFM-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 1K7Q6db6q4e
Name 2(S)-Hydroxy-4(S),5-dimethyl-5-hexenoic acid, methyl ester
CAS Registry Number 80878-16-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)7(3)5-8(10)9(11)12-4/h7-8,10H,1,5H2,2-4H3
InChIKey UNELKAHQORUGFM-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference J.V. Duncia, P.T. Lansbury, T. Miller, J. Am. Chem. Soc. 104, 1930 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3