| SpectraBase Compound ID | LjQOWZ9OP8X |
|---|---|
| InChI | InChI=1S/C16H14O4/c17-12-8-4-3-7-11(12)13-14(18)9-5-1-2-6-10(9)15(19)16(13)20/h1-2,5-6,11,20H,3-4,7-8H2 |
| InChIKey | IARSQQFHCLMLQG-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7GD1PFCIIz |
|---|---|
| Name | 2-Hydroxy-3-(2-oxocyclohexyl)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c17-12-8-4-3-7-11(12)13-14(18)9-5-1-2-6-10(9)15(19)16(13)20/h1-2,5-6,11,20H,3-4,7-8H2 |
| InChIKey | IARSQQFHCLMLQG-UHFFFAOYSA-N |
| SMILES | C1(C(=C(C(C=2C=CC=CC12)=O)C1C(CCCC1)=O)O)=O |