Spektraris NMR
CHEMBL466778
Common Name: CHEMBL466778
Synonyms: CHEMBL466778
CAS Registry Number:
InChI: InChI=1S/C15H27N/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13H,1,5-10,16H2,2-4H3/t12-,13+,14+,15+/m0/s1
InChIKey: InChIKey=IEHDMDFZDJQIHW-GBJTYRQASA-N
Formula: C15H27N1
Molecular Weight: 221.382182
Exact Mass: 221.21435
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Petrichtcheva, N.V., Duque, C., Duenas, A., Zea, S., Hara, N., Fujimoto, Y. J Nat Prod (2002) 65, 851-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 40.8 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 44.6 |
| 4 (C) | 51.1 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 39.6 |
| 8 (CH2) | 23.6 |
| 9 (CH2) | 41.8 |
| 10 (C) | 35.2 |
| 11 (C) | 147 |
| 12 (CH2) | 110.7 |
| 13 (CH3) | 22.3 |
| 14 (CH3) | 18.7 |
| 15 (CH3) | 22.9 |
