| SpectraBase Compound ID | CHQp8SMyWyd |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(15-4-2)17-19-22/h16-19H,3-15,20H2,1-2H3 |
| InChIKey | GOUKLEFMWJTHNA-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hv10wyrmRzP |
|---|---|
| Name | Benzoic acid, 4-propyl-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(15-4-2)17-19-22/h16-19H,3-15,20H2,1-2H3 |
| InChIKey | GOUKLEFMWJTHNA-UHFFFAOYSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C(OCCCCCCCCCCCCC)(=O)C1=CC=C(CCC)C=C1 |