Spektraris NMR
2-Methyl-5-oxohexanoic acid
Common Name: 2-Methyl-5-oxohexanoic acid
Synonyms: 2-Methyl-5-oxohexanoic acid
CAS Registry Number:
InChI: InChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey: InChIKey=RJKCQJNOJDMYEM-UHFFFAOYSA-N
Formula: C7H12O3
Molecular Weight: 144.168655
Exact Mass: 144.078644
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuura Y., Chai W., Endoh E., Suhara J., Hamada H., Horiuchi C.A. Phytochemistry (2002) 61, 669-73
Species:
Notes: Family : Aliphatics, Type : Acids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 182.1 |
| 2 (CH) | 38.5 |
| 3 (CH2) | 30 |
| 4 (CH2) | 41 |
| 5 (C) | 208.4 |
| 6 (CH3) | 27.1 |
| 7 (CH3) | 17 |
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