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(2R,4S)-2-CHLORO-4-METHYL-5-HEXENOIC ACID, METHYL ESTER
SpectraBase Compound ID 1APHlPyb3wM
InChI InChI=1S/C8H13ClO2/c1-4-6(2)5-7(9)8(10)11-3/h4,6-7H,1,5H2,2-3H3
InChIKey RYRYOYPQZWRLTF-UHFFFAOYSA-N
Mol Weight 176.64 g/mol
Molecular Formula C8H13ClO2
Exact Mass 176.060407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2QYKPHHOjge
Name (2R,4S)-2-CHLORO-4-METHYL-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 74964-53-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13ClO2
InChI InChI=1S/C8H13ClO2/c1-4-6(2)5-7(9)8(10)11-3/h4,6-7H,1,5H2,2-3H3
InChIKey RYRYOYPQZWRLTF-UHFFFAOYSA-N
Molecular Weight 176.64
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-90
Synonyms 5-HEXENOIC ACID, 2-CHLORO-4-METHYL-, METHYL ESTER, /2R,4S/-,