| SpectraBase Compound ID | D2RsIzTtC9T |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-15-18-22(4-2)25-23(24)20-19-21-16-13-12-14-17-21/h12-14,16-17,22H,3-11,15,18-20H2,1-2H3 |
| InChIKey | XGCHPADWKRWMAD-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 | 1Zw0ZM44Mn5 |
|---|---|
| Name | Benzenepropionic acid, 3-tetradecyl 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/c1-3-5-6-7-8-9-10-11-15-18-22(4-2)25-23(24)20-19-21-16-13-12-14-17-21/h12-14,16-17,22H,3-11,15,18-20H2,1-2H3 |
| InChIKey | XGCHPADWKRWMAD-UHFFFAOYSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OC(CCCCCCCCCCC)CC)=O |