Spektraris NMR

Common Name: 5-oxo-heptanoic acid

Synonyms: 5-oxo-heptanoic acid

CAS Registry Number:

InChI: InChI=1S/C7H12O3/c1-2-6(8)4-3-5-7(9)10/h2-5H2,1H3,(H,9,10)

InChIKey: InChIKey=PHADZMIQVBXNAW-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)