Spektraris NMR
Axinynitrile A
Common Name: Axinynitrile A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H23N/c1-10-6-5-7-12-8-11(9-17)13-14(15(13,2)3)16(10,12)4/h8,10-11,13-14H,5-7H2,1-4H3/t10-,11+,13-,14+,16+/m0/s1
InChIKey: InChIKey=CHWSGROQUOSJCE-OYCUPVHPSA-N
Formula: C16H23N1
Molecular Weight: 229.361155
Exact Mass: 229.18305
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zubia, E., Ortega, M.J., Carballo, J.L. J Nat Prod (2008) 71, 2004-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aristolanes; 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) | 32.6 |
| 2 (CH2) | 26.3 |
| 3 (CH2) | 30.9 |
| 4 (CH) | 37.7 |
| 5 (C) | 36.8 |
| 6 (CH) | 31.5 |
| 7 (CH) | 20.8 |
| 8 (CH) | 25.4 |
| 9 (CH) | 112.2 |
| 10 (C) | 146.1 |
| 11 (C) | 19.3 |
| 12 (CH3) | 29.8 |
| 13 (CH3) | 16.1 |
| 14 (CH3) | 21.4 |
| 15 (CH3) | 15.9 |
| 8a (C) | 121.7 |
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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.