| SpectraBase Compound ID | J3EXYvPXv59 |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-2-3-6-12-18-16(17)15-11-7-9-13-8-4-5-10-14(13)15/h1,3-11H,12H2 |
| InChIKey | GFQDQLYAGSQRIW-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8WqW7Zcyiz |
|---|---|
| Name | 1-Naphthoic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.083729624 u |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c1-2-3-6-12-18-16(17)15-11-7-9-13-8-4-5-10-14(13)15/h1,3-11H,12H2 |
| InChIKey | GFQDQLYAGSQRIW-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(OCC=CC#C)=O |