Spektraris NMR

Common Name: 2,6-dimethyl-5-oxo-heptanoic Acid

Synonyms: 2,6-dimethyl-5-oxo-heptanoic Acid

CAS Registry Number:

InChI: InChI=1S/C9H16O3/c1-6(2)8(10)5-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)

InChIKey: InChIKey=KFSWOOWOYKTCDK-UHFFFAOYSA-N

Formula: C9H16O3

Molecular Weight: 172.22189

Exact Mass: 172.109944

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)