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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 JGAGkJM9Ru4
Name (2S,4S)-4,5-DIMETHYL-2-HYDROXY-5-HEXENOIC ACID, METHYL ESTER
Source of Sample J. V. Duncia, P. T. Lansbury, T. Miller J. Amer. Chem. Soc. 104, 1930(1982)
CAS Registry Number 80878-16-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 172.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-90
Synonyms 5-HEXENOIC ACID, 4,5-DIMETHYL- 2-HYDROXY-, METHYL ESTER, /2S,4S/-,