Spektraris NMR
Elemol
Common Name: Elemol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
InChIKey: InChIKey=GFJIQNADMLPFOW-VNHYZAJKSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Elgamal, M.H., Wolff, P. Planta Med (1987) 53, 293
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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 (CH) | 150.1 |
| 2 (CH2) | 109.8 |
| 3 (CH2) | 112 |
| 4 (C) | 147.8 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 28.4 |
| 7 (CH) | 49.2 |
| 8 (CH2) | 22.5 |
| 9 (CH2) | 39.8 |
| 10 (C) | 39.6 |
| 11 (C) | 72.6 |
| 12 (CH3) | 27 |
| 13 (CH3) | 27 |
| 14 (CH3) | 16.5 |
| 15 (CH3) | 24.8 |
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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.