| SpectraBase Compound ID | 9wKMIy5xIJL |
|---|---|
| InChI | InChI=1S/C21H22O2/c1-15(2)12-13-18(14-16(3)4)23-21(22)20-11-7-9-17-8-5-6-10-19(17)20/h5-11,16,18H,1,14H2,2-4H3 |
| InChIKey | YWDNWKDCBRGVGC-UHFFFAOYSA-N |
| Mol Weight | 306.41 g/mol |
| Molecular Formula | C21H22O2 |
| Exact Mass | 306.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51xreCIVYPD |
|---|---|
| Name | 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.161979946 u |
| Formula | C21H22O2 |
| InChI | InChI=1S/C21H22O2/c1-15(2)12-13-18(14-16(3)4)23-21(22)20-11-7-9-17-8-5-6-10-19(17)20/h5-11,16,18H,1,14H2,2-4H3 |
| InChIKey | YWDNWKDCBRGVGC-UHFFFAOYSA-N |
| Molecular Weight | 306.405 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(OC(C#CC(=C)C)CC(C)C)=O |