| SpectraBase Compound ID | 6f3UDYPYXHL |
|---|---|
| InChI | InChI=1S/C20H22O2/c1-4-5-11-17(14-15(2)3)22-20(21)19-13-8-10-16-9-6-7-12-18(16)19/h6-10,12-13,15,17H,4,14H2,1-3H3 |
| InChIKey | FTLGLKKAVPEDNW-UHFFFAOYSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C20H22O2 |
| Exact Mass | 294.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkBvwcboyA4 |
|---|---|
| Name | 1-Naphthoic acid, 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.161979946 u |
| Formula | C20H22O2 |
| InChI | InChI=1S/C20H22O2/c1-4-5-11-17(14-15(2)3)22-20(21)19-13-8-10-16-9-6-7-12-18(16)19/h6-10,12-13,15,17H,4,14H2,1-3H3 |
| InChIKey | FTLGLKKAVPEDNW-UHFFFAOYSA-N |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(OC(CC(C)C)C#CCC)=O |