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3-METHYL-4,4,4-TRICHLOROBUTYRIC ACID, METHYL ESTER
SpectraBase Compound ID CK5ugHwNzzf
InChI InChI=1S/C6H9Cl3O2/c1-4(6(7,8)9)3-5(10)11-2/h4H,3H2,1-2H3
InChIKey DGWHQFSDXORUPU-UHFFFAOYSA-N
Mol Weight 219.49 g/mol
Molecular Formula C6H9Cl3O2
Exact Mass 217.966813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1JPYjYBKEy
Name 3-METHYL-4,4,4-TRICHLOROBUTYRIC ACID, METHYL ESTER
Source of Sample S. E. De Lazlo, P. G. Willard J. Amer. Chem. Soc. 107, 199 (1985)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9Cl3O2
InChI InChI=1S/C6H9Cl3O2/c1-4(6(7,8)9)3-5(10)11-2/h4H,3H2,1-2H3
InChIKey DGWHQFSDXORUPU-UHFFFAOYSA-N
Molecular Weight 219.50
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported
Synonyms BUTYRIC ACID, 3-METHYL-4,4,4-TRICHLORO-, METHYL ESTER