Spektraris NMR
2-(1-Methyl-3-butenyl)-4-(benzyloxy)-5-methylphenyl 1,1-dimethyl-2-propynyl ether
Common Name: 2-(1-Methyl-3-butenyl)-4-(benzyloxy)-5-methylphenyl 1,1-dimethyl-2-propynyl ether
Synonyms: 2-(1-Methyl-3-butenyl)-4-(benzyloxy)-5-methylphenyl 1,1-dimethyl-2-propynyl ether
CAS Registry Number:
InChI: InChI=1S/C24H28O2/c1-7-12-18(3)21-16-22(25-17-20-13-10-9-11-14-20)19(4)15-23(21)26-24(5,6)8-2/h2,7,9-11,13-16,18H,1,12,17H2,3-6H3
InChIKey: InChIKey=XGAXTPXPCKFRRX-UHFFFAOYSA-N
Formula: C24H28O2
Molecular Weight: 348.478812
Exact Mass: 348.20893
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Chinchilla, D., Molinillo, J.M.G., Fronczek, F.R., Shishido, K. Tetrahedron (2008) 64, 5502-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Others; 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) | 137.3 |
| 2 (C) | 152.4 |
| 3 (CH) | 115.5 |
| 4 (C) | 124.4 |
| 5 (C) | 146.4 |
| 6 (CH) | 110.4 |
| 7 (CH) | 32.1 |
| 8 (CH2) | 41.9 |
| 1' (CH2) | 72.3 |
| 2' (C) | 137.6 |
| 3' (CH) | 127.2 |
| 4' (CH) | 128.3 |
| 5' (CH) | 127.3 |
| 6' (CH) | 128.3 |
| 7' (CH) | 127.2 |
| 2a (C) | 70.5 |
| 2b (C) | 86.9 |
| 2c (CH) | 73.2 |
| 2d (CH3) | 29.9 |
| 2e (CH3) | 29.9 |
| 4a (CH3) | 16.3 |
| 7a (CH3) | 20.5 |
| 8a (CH) | 137.4 |
| 8b (CH2) | 122.7 |
