| SpectraBase Compound ID | AAUfVpxQWXU |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-3-8-14(4-2)19-17(18)16-12-7-10-13-9-5-6-11-15(13)16/h5-7,9-12,14H,4H2,1-2H3 |
| InChIKey | FXZIUEILTHGESM-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JX7MOKiqAOQ |
|---|---|
| Name | 1-Naphthoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-3-8-14(4-2)19-17(18)16-12-7-10-13-9-5-6-11-15(13)16/h5-7,9-12,14H,4H2,1-2H3 |
| InChIKey | FXZIUEILTHGESM-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(OC(CC)C#CC)=O |