Spektraris NMR
(±)-cis/trans-3,4,4a,7,8,8a-Hexahydro-4a,6-dimethylnaphthalen-1(2H)-one
Common Name: (±)-cis/trans-3,4,4a,7,8,8a-Hexahydro-4a,6-dimethylnaphthalen-1(2H)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H18O/c1-9-5-6-10-11(13)4-3-7-12(10,2)8-9/h8,10H,3-7H2,1-2H3/t10-,12+/m1/s1
InChIKey: InChIKey=FPCVOYFRQWQVBC-PWSUYJOCSA-N
Formula: C12H18O1
Molecular Weight: 178.271169
Exact Mass: 178.135765
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 : Aromatics, Type : Naphthalenes; 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) | 213.2 |
| 2 (CH2) | 40.3 |
| 3 (CH2) | 21.9 |
| 4 (CH2) | 37 |
| 5 (CH) | 129.5 |
| 6 (C) | 133.8 |
| 7 (CH2) | 27.5 |
| 8 (CH2) | 20.6 |
| 9 (CH) | 54.2 |
| 10 (C) | 38.5 |
| 6a (CH3) | 23.5 |
| 10a (CH3) | 29 |
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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.