Spektraris NMR
Methyl-2,6-Dimethyl-5-oxoheptanoate
Common Name: Methyl-2,6-Dimethyl-5-oxoheptanoate
Synonyms: Methyl-2,6-Dimethyl-5-oxoheptanoate
CAS Registry Number:
InChI: InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h7-8H,5-6H2,1-4H3
InChIKey: InChIKey=UDVSCIOUANKHJU-UHFFFAOYSA-N
Formula: C10H18O3
Molecular Weight: 186.248507
Exact Mass: 186.125594
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) | 176.7 |
| 2 (CH) | 38.7 |
| 3 (CH2) | 27.5 |
| 4 (CH2) | 37.6 |
| 5 (C) | 214 |
| 6 (CH) | 40.9 |
| 7 (CH3) | 18.3 |
| 8 (CH3) | 17.2 |
| 9 (CH3) | 18.2 |
| 1a (CH3) | 51.6 |
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