| SpectraBase Compound ID | AtdXljHmBaZ |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-11-14-17-23-20(21)18-15-12-13-16-19(18)22-2/h12-13,15-16H,3,6-11,14,17H2,1-2H3 |
| InChIKey | DPANNRKOCCGDMQ-UHFFFAOYSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DCYaqXwBad |
|---|---|
| Name | o-Anisic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-3-4-5-6-7-8-9-10-11-14-17-23-20(21)18-15-12-13-16-19(18)22-2/h12-13,15-16H,3,6-11,14,17H2,1-2H3 |
| InChIKey | DPANNRKOCCGDMQ-UHFFFAOYSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OCCCCCCCCC#CCC)=O)OC |