| SpectraBase Compound ID | FtKEu9oecrK |
|---|---|
| InChI | InChI=1S/C16H14O2/c17-15-11-3-1-2-4-12(11)16(18)14-10-7-5-9(6-8-10)13(14)15/h1-5,7,9-10,13-14H,6,8H2 |
| InChIKey | UUILUGXGLYHBPX-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5tct46mvr2 |
|---|---|
| Name | 1,4,4A,9A-Tetrahydro-1,4-ethanoanthracene-9,10-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c17-15-11-3-1-2-4-12(11)16(18)14-10-7-5-9(6-8-10)13(14)15/h1-5,7,9-10,13-14H,6,8H2 |
| InChIKey | UUILUGXGLYHBPX-UHFFFAOYSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | C12C=CC(C3C2C(=O)C=2C(C3=O)=CC=CC2)CC1 |