Spektraris NMR
ZINC14823318
Common Name: ZINC14823318
Synonyms: ZINC14823318
CAS Registry Number:
InChI: InChI=1S/C12H20O2/c1-11(13)7-4-3-5-9-10(11)6-8-12(9,2)14/h3,5,9-10,13-14H,4,6-8H2,1-2H3/t9-,10+,11+,12-/m1/s1
InChIKey: InChIKey=OYLMHCZNXIBJBA-NOOOWODRSA-N
Formula: C12H20O2
Molecular Weight: 196.286456
Exact Mass: 196.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feng, F., Chen, M.H., Xing, C.X., Liu, W.Y., Xie, N. J Asian Nat Prod Res (2009) 11, 856-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 50.6 |
| 2 (CH2) | 21.6 |
| 3 (CH2) | 40.3 |
| 4 (C) | 80 |
| 5 (CH) | 51.2 |
| 6 (CH) | 130.1 |
| 7 (CH) | 131.6 |
| 8 (CH2) | 23.5 |
| 9 (CH2) | 42.7 |
| 10 (C) | 75 |
| 14 (CH3) | 21.7 |
| 15 (CH3) | 22.8 |
