Spektraris NMR
LSRLIQNNCDCOJG-CDMKHQONSA-
Common Name: LSRLIQNNCDCOJG-CDMKHQONSA-
Synonyms: LSRLIQNNCDCOJG-CDMKHQONSA-
CAS Registry Number:
InChI: InChI=1S/C13H20O2/c1-8(2)11-5-4-9(3)13(15)7-10(14)6-12(11)13/h6,8-9,11,15H,4-5,7H2,1-3H3/t9-,11+,13+/m1/s1
InChIKey: InChIKey=LSRLIQNNCDCOJG-CDMKHQONSA-N
Formula: C13H20O2
Molecular Weight: 208.297192
Exact Mass: 208.14633
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Song, F., Xu, X., Li, S., Wang, S., Zhao, J., Cao, P., Yang, Y., Fan, X., Shi, J., He, L., Lu, Y. J Nat Prod (2005) 68, 1309-13
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 80.3 |
| 2 (CH2) | 49 |
| 3 (C) | 204.9 |
| 4 (CH) | 131.7 |
| 5 (C) | 181.5 |
| 6 (CH) | 48.5 |
| 7 (CH2) | 23.5 |
| 8 (CH2) | 24.6 |
| 9 (CH) | 40.1 |
| 10 (CH3) | 14.4 |
| 11 (CH) | 28.6 |
| 12 (CH3) | 21.9 |
| 13 (CH3) | 22.7 |
