Spektraris NMR
Etrogol
Common Name: Etrogol
Synonyms: Etrogol
CAS Registry Number:
InChI: InChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3
InChIKey: InChIKey=IBVFUNAQXWFZQB-UHFFFAOYSA-N
Formula: C13H18O2
Molecular Weight: 206.28131
Exact Mass: 206.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stierle, A.A., Stierle, D.B., Goldstein, E., Parker, K., Bugni, T., Baarson, C., Gress, J., Blake, D. J Nat Prod (2003) 66, 1097-100
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 130.1 |
| 2 (CH) | 129.9 |
| 3 (CH) | 114.7 |
| 4 (C) | 157.7 |
| 5 (CH) | 114.7 |
| 6 (CH) | 129.9 |
| 7 (CH2) | 38.2 |
| 8 (CH2) | 63.8 |
| 4a (CH2) | 64.7 |
| 4b (CH) | 119.6 |
| 4c (C) | 131.8 |
| 4d (CH3) | 25.8 |
| 4e (CH3) | 18.2 |
