Spektraris NMR
2-(1,1-Dimethyl-2-propenyl)-4-allylphenol
Common Name: 2-(1,1-Dimethyl-2-propenyl)-4-allylphenol
Synonyms: 2-(1,1-Dimethyl-2-propenyl)-4-allylphenol
CAS Registry Number:
InChI: InChI=1S/C14H18O/c1-5-7-11-8-9-13(15)12(10-11)14(3,4)6-2/h5-6,8-10,15H,1-2,7H2,3-4H3
InChIKey: InChIKey=QTIAVMHJHYYHCN-UHFFFAOYSA-N
Formula: C14H18O1
Molecular Weight: 202.292641
Exact Mass: 202.135765
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moriyama, M., Huang, J.M., Yang, C.S., Kubo, M., Harada, K., Hioki, H., Fukuyama, Y. Chem Pharm Bull (2008) 56, 1201-4
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylisopentanoids; 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) | 131.9 |
| 2 (CH) | 126.4 |
| 3 (C) | 132 |
| 4 (CH) | 128.1 |
| 5 (CH) | 117.7 |
| 6 (C) | 153 |
| 7 (C) | 40.3 |
| 8 (CH) | 147.9 |
| 9 (CH2) | 113.4 |
| 10 (CH3) | 26.9 |
| 11 (CH3) | 26.9 |
| 12 (CH2) | 39.7 |
| 13 (CH) | 138 |
| 14 (CH2) | 115.4 |
