| SpectraBase Compound ID | 8MRFb4oLH9A |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)25-22-19-18-21-24(25)2/h18-19,21-22H,3-17,20,23H2,1-2H3 |
| InChIKey | DDBNDPFMAYKYRG-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C26H44O2 |
| Exact Mass | 388.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tDXz6Yzhf9 |
|---|---|
| Name | o-Toluic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.334130655 u |
| Formula | C26H44O2 |
| InChI | InChI=1S/C26H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-26(27)25-22-19-18-21-24(25)2/h18-19,21-22H,3-17,20,23H2,1-2H3 |
| InChIKey | DDBNDPFMAYKYRG-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCCCCC)C=1C(C)=CC=CC1 |