Spektraris NMR
Pechueloic acid
Common Name: Pechueloic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8,11-12H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,12-/m0/s1
InChIKey: InChIKey=ZFHSKBJBODQVBX-AXTRIDKLSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miski, M., De Luengo, D.H., Mabry, T.J. Phytochemistry (1987) 26, 199-200
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 46.2 |
| 2 (CH2) | 41.4 |
| 3 (C) | 209.6 |
| 4 (C) | 137.9 |
| 5 (C) | 171.2 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 37.8 |
| 8 (CH2) | 31.7 |
| 9 (CH2) | 38.5 |
| 10 (CH) | 35.3 |
| 11 (C) | 145.9 |
| 12 (CH2) | 125.1 |
| 13 (C) | 176.2 |
| 14 (CH3) | 12.2 |
| 15 (CH3) | 7.9 |
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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.