Spektraris NMR
Pentadecanyl p-hydroxybenzoate
Common Name: Pentadecanyl p-hydroxybenzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25-22(24)20-15-17-21(23)18-16-20/h15-18,23H,2-14,19H2,1H3
InChIKey: InChIKey=DQEHOIVOWUXHKJ-UHFFFAOYSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ali, M.S., Saleem, M., Ali, Z., Ahmad, V.U. Phytochemistry (2000) 55, 933-6
Species:
Notes: Family : Aromatics, Type : Benzenes; 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) | 128.6 |
| 2 (CH) | 129.6 |
| 3 (CH) | 115.1 |
| 4 (C) | 155.3 |
| 5 (CH) | 115.1 |
| 6 (CH) | 129.6 |
| 7 (C) | 174.3 |
| 7a (CH2) | 65.1 |
| 7b (CH2) | 29.2 |
| 7c (CH2) | 29.2 |
| 7d (CH2) | 29.2 |
| 7e (CH2) | 29.2 |
| 7f (CH2) | 29.2 |
| 7g (CH2) | 29.2 |
| 7h (CH2) | 29.2 |
| 7i (CH2) | 29.2 |
| 7j (CH2) | 29.2 |
| 7k (CH2) | 29.2 |
| 7l (CH2) | 29.2 |
| 7m (CH2) | 29.2 |
| 7n (CH2) | 29.2 |
| 7o (CH3) | 13.6 |
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