Spektraris NMR
Compound 2
Common Name: Compound 2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O3/c1-11-8-15(18)14(12(2)17)9-16(11)19-10-13-6-4-3-5-7-13/h3-9,18H,10H2,1-2H3
InChIKey: InChIKey=OCIAKYHUVCXTRR-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) | 120.1 |
| 2 (C) | 157.1 |
| 3 (CH) | 111.8 |
| 4 (C) | 138.9 |
| 5 (C) | 149.2 |
| 6 (CH) | 136.9 |
| 7 (C) | 203.3 |
| 8 (CH3) | 26.5 |
| 1' (CH2) | 70.8 |
| 2' (C) | 116.9 |
| 3' (CH) | 128.5 |
| 4' (CH) | 127.2 |
| 5' (CH) | 127.9 |
| 6' (CH) | 127.2 |
| 7' (CH) | 128.5 |
| 4a (CH3) | 17 |
