Spektraris NMR
(±)-2,4-Dimethylcyclohex-3-enone
Common Name: (±)-2,4-Dimethylcyclohex-3-enone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C8H12O/c1-6-3-4-8(9)7(2)5-6/h5,7H,3-4H2,1-2H3
InChIKey: InChIKey=AKEUYQMAQOYRQV-UHFFFAOYSA-N
Formula: C8H12O1
Molecular Weight: 124.180581
Exact Mass: 124.088815
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kraft, P., Weymuth, C., Nussbaumer, C. Eur J Org Chem (2006) 0, 1403-12
Species:
Notes: Family : Aliphatics, Type : Cycloalkanes; 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) | 212.8 |
| 2 (CH) | 42.7 |
| 3 (CH) | 125.3 |
| 4 (C) | 133.7 |
| 5 (CH2) | 31 |
| 6 (CH2) | 37.1 |
| 2a (CH3) | 16.7 |
| 4a (CH3) | 22.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.