| SpectraBase Compound ID | 14xdddMRCDK |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-16-19-24-22(23)21(4-2)20-17-14-13-15-18-20/h12-18,21H,3-11,19H2,1-2H3/b16-12+ |
| InChIKey | OKASAXVDJXILIH-FOWTUZBSSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsqdjIaxXF2 |
|---|---|
| Name | Butyric acid, 2-phenyl-, dodec-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-16-19-24-22(23)21(4-2)20-17-14-13-15-18-20/h12-18,21H,3-11,19H2,1-2H3/b16-12+ |
| InChIKey | OKASAXVDJXILIH-FOWTUZBSSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C(C(C(OC\C=C\CCCCCCCCC)=O)C1=CC=CC=C1)C |