Spektraris NMR
4,4'-Oxybis(benzoic acid hexyl) ester
Common Name: 4,4'-Oxybis(benzoic acid hexyl) ester
Synonyms: 4,4'-Oxybis(benzoic acid hexyl) ester
CAS Registry Number:
InChI: InChI=1S/C26H34O5/c1-3-5-7-9-19-29-25(27)21-11-15-23(16-12-21)31-24-17-13-22(14-18-24)26(28)30-20-10-8-6-4-2/h11-18H,3-10,19-20H2,1-2H3
InChIKey: InChIKey=KORPNBUDIPRDAL-UHFFFAOYSA-N
Formula: C26H34O5
Molecular Weight: 426.546144
Exact Mass: 426.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Topcu, G., Tan, N. Phytochemistry (1995) 40, 1473-5
Species:
Notes: Family : Aromatics, Type : Biphenyl-ethers; 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) | 154.2 |
| 2 (CH) | 130 |
| 3 (CH) | 115.3 |
| 4 (C) | 142.2 |
| 5 (CH) | 115.3 |
| 6 (CH) | 130 |
| 7 (C) | 174 |
| 8 (CH2) | 64.9 |
| 9 (CH2) | 34.3 |
| 10 (CH2) | 31 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 22.6 |
| 13 (CH3) | 14 |
| 1' (C) | 154.2 |
| 2' (CH) | 130 |
| 3' (CH) | 115.3 |
| 4' (C) | 142.2 |
| 5' (CH) | 115.3 |
| 6' (CH) | 130 |
| 7' (C) | 174 |
| 8' (CH2) | 64.9 |
| 9' (CH2) | 34.3 |
| 10' (CH2) | 31 |
| 11' (CH2) | 24.9 |
| 12' (CH2) | 22.6 |
| 13' (CH3) | 14 |
