Spektraris NMR
Methyl 3-(3,4-dimethoxyphenyl)propanoate
Common Name: Methyl 3-(3,4-dimethoxyphenyl)propanoate
Synonyms: Methyl 3-(3,4-dimethoxyphenyl)propanoate
CAS Registry Number:
InChI: InChI=1S/C12H16O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8H,5,7H2,1-3H3
InChIKey: InChIKey=VSWFXSSYWWNFNF-UHFFFAOYSA-N
Formula: C12H16O4
Molecular Weight: 224.253503
Exact Mass: 224.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Moreira, D.D., Guimaraes, E.F., Kaplan, M.A. Phytochemistry (2000) 55, 783-6
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 132.99 |
| 2 (CH) | 111.53 |
| 3 (C) | 148.74 |
| 4 (C) | 147.36 |
| 5 (CH) | 111.19 |
| 6 (CH) | 119.93 |
| 7 (CH2) | 30.43 |
| 8 (CH2) | 35.82 |
| 9 (C) | 173.21 |
| 3a (CH3) | 55.65 |
| 4a (CH3) | 55.75 |
| 9a (CH3) | 51.42 |
