| SpectraBase Compound ID | EU1cbxUpXrT |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h1,3-7,13-14H,8-9H2 |
| InChIKey | DBKZIWJNOHJSEP-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 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 | AZv0m0HMJK |
|---|---|
| Name | 2-Ethynyl-1,4,4A,9,9A,10-hexahydroanthracene-9,10-dione |
| 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/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h1,3-7,13-14H,8-9H2 |
| InChIKey | DBKZIWJNOHJSEP-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C12C(C=3C=CC=CC3C(C2CC=C(C#C)C1)=O)=O |