| SpectraBase Compound ID | KifUhruaDYh |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-20(21)18-19-15-12-11-13-16-19/h11-13,15-16H,2,5-10,14,17-18H2,1H3 |
| InChIKey | RNQMVXLHPFCXCY-UHFFFAOYSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3QOwj5ydup |
|---|---|
| Name | Phenylacetic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-14-17-22-20(21)18-19-15-12-11-13-16-19/h11-13,15-16H,2,5-10,14,17-18H2,1H3 |
| InChIKey | RNQMVXLHPFCXCY-UHFFFAOYSA-N |
| SMILES | C(CCCC#CCC)CCCCOC(CC1=CC=CC=C1)=O |