Spektraris NMR
p-Methoxythymol acetate
Common Name: p-Methoxythymol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H18O3/c1-8(2)11-7-12(15-5)9(3)6-13(11)16-10(4)14/h6-8H,1-5H3
InChIKey: InChIKey=DGDRPKUDABZVDM-UHFFFAOYSA-N
Formula: C13H18O3
Molecular Weight: 222.280715
Exact Mass: 222.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukuda, M., Ohkoshi, E., Makino, M., Fujimoto, Y. Chem Pharm Bull (2006) 54, 1465-8
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 125.1 |
| 2 (CH) | 124.1 |
| 3 (C) | 140.8 |
| 4 (C) | 137.9 |
| 5 (CH) | 107.8 |
| 6 (C) | 155.8 |
| 7 (CH3) | 15.8 |
| 8 (CH) | 27.6 |
| 9 (CH3) | 23 |
| 10 (CH3) | 23 |
| 3a (C) | 170.2 |
| 3b (CH3) | 20.9 |
| 6a (CH3) | 55.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.