| SpectraBase Compound ID | 8OtcnAw1OwK |
|---|---|
| InChI | InChI=1S/C23H34O2/c1-3-5-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(17-19-22)15-6-4-2/h16-19H,3-4,6,8-15,20H2,1-2H3 |
| InChIKey | FRMKCYYFFDURBJ-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C23H34O2 |
| Exact Mass | 342.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HueHHlBTzT5 |
|---|---|
| Name | 4-Butylbenzoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.255880333 u |
| Formula | C23H34O2 |
| InChI | InChI=1S/C23H34O2/c1-3-5-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(17-19-22)15-6-4-2/h16-19H,3-4,6,8-15,20H2,1-2H3 |
| InChIKey | FRMKCYYFFDURBJ-UHFFFAOYSA-N |
| Molecular Weight | 342.523 g/mol |
| SMILES | C(OCCCCCCCCC#CCC)(=O)C1=CC=C(CCCC)C=C1 |