Spektraris NMR
Compound 3
Common Name: Compound 3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O3/c1-11-8-16(14(12(2)17)9-15(11)18)19-10-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3
InChIKey: InChIKey=YZMOHLCTOWJBTK-UHFFFAOYSA-N
Formula: C16H16O3
Molecular Weight: 256.297041
Exact Mass: 256.109944
NMR Solvent: CDCl3
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 : 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) | 126.1 |
| 2 (C) | 155.6 |
| 3 (CH) | 112.2 |
| 4 (C) | 136.8 |
| 5 (C) | 150 |
| 6 (CH) | 128.7 |
| 7 (C) | 204.2 |
| 8 (CH3) | 26.8 |
| 1' (CH2) | 70.9 |
| 2' (C) | 116.9 |
| 3' (CH) | 128.6 |
| 4' (CH) | 127.5 |
| 5' (CH) | 128 |
| 6' (CH) | 127.5 |
| 7' (CH) | 128.6 |
| 4a (CH3) | 15.6 |
