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QIZFMIXTHKTRJG-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR

QIZFMIXTHKTRJG-UHFFFAOYSA-N
SpectraBase Compound ID Cc94oYiw365
InChI InChI=1S/C8H14O3/c1-6(4-7(2)9)5-8(10)11-3/h6H,4-5H2,1-3H3
InChIKey QIZFMIXTHKTRJG-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNmbNo5N1FQ
Name 3-METHYL-5-OXOHEXANOIC ACID, METHYL ESTER
Source of Sample L. S. Hegedus, W. H. Darlington J. Amer. Chem. Soc. 102, 4980(1980)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(4-7(2)9)5-8(10)11-3/h6H,4-5H2,1-3H3
InChIKey QIZFMIXTHKTRJG-UHFFFAOYSA-N
Molecular Weight 158.20
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported
Synonyms HEXANOIC ACID, 3-METHYL-5-OXO-, METHYL ESTER