| SpectraBase Compound ID | Iv4tVhyOBd3 |
|---|---|
| InChI | InChI=1S/C26H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(18-4-2)20-22-25/h19-22H,3-18,23H2,1-2H3 |
| InChIKey | PJRSWDYDAILEIB-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 | 8SRqqheoZfH |
|---|---|
| Name | Benzoic acid, 4-propyl-, hexadecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(18-4-2)20-22-25/h19-22H,3-18,23H2,1-2H3 |
| InChIKey | PJRSWDYDAILEIB-UHFFFAOYSA-N |
| Molecular Weight | 388.636 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |