Spektraris NMR
4-methyl-7-(1-methylethyl)azulene-1-carboxylic acid
Common Name: 4-methyl-7-(1-methylethyl)azulene-1-carboxylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O2/c1-9(2)11-5-4-10(3)12-6-7-13(15(16)17)14(12)8-11/h4-9H,1-3H3,(H,16,17)
InChIKey: InChIKey=LZVAKCHJUKOGEF-UHFFFAOYSA-N
Formula: C15H16O2
Molecular Weight: 228.2869
Exact Mass: 228.11503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang, L.Z., Shao, H.J., Yang, W.Q., Liu, J.K. Helv Chim Acta (2006) 89, 1463-6
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 (C) | 143 |
| 2 (CH) | 114.2 |
| 3 (CH) | 140.1 |
| 4 (C) | 115.7 |
| 5 (C) | 140.7 |
| 6 (CH) | 137.9 |
| 7 (C) | 147.7 |
| 8 (CH) | 136.7 |
| 9 (CH) | 130.1 |
| 10 (C) | 146.8 |
| 11 (CH) | 38.4 |
| 12 (CH3) | 24.7 |
| 13 (CH3) | 24.7 |
| 14 (CH3) | 24.8 |
| 15 (C) | 170.5 |
