| SpectraBase Compound ID | JH7tOaYN3vT |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23)24-20-19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3 |
| InChIKey | BZEXDSGQQMPNNS-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TZm68HndZr |
|---|---|
| Name | Phenethyl tetradecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23)24-20-19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3 |
| InChIKey | BZEXDSGQQMPNNS-UHFFFAOYSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | C(CCCCCCCCCCCCC)(=O)OCCC1=CC=CC=C1 |