| SpectraBase Compound ID | 852EsXeNiAo |
|---|---|
| InChI | InChI=1S/C20H14O2/c21-13-7-1-2-12-19(22)20-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)20/h3-6,8-11,14,19,21-22H,13H2 |
| InChIKey | SNXFUDWYOAQNIR-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C20H14O2 |
| Exact Mass | 286.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3qmrL3YrLN |
|---|---|
| Name | 1-(9-Anthryl)-2,4-hexadiyne-1,6-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.099379689 u |
| Formula | C20H14O2 |
| InChI | InChI=1S/C20H14O2/c21-13-7-1-2-12-19(22)20-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)20/h3-6,8-11,14,19,21-22H,13H2 |
| InChIKey | SNXFUDWYOAQNIR-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=CC2)C=C2C(=C1C(O)C#CC#CCO)C=CC=C2 |