| SpectraBase Compound ID | HWGVQETpncS |
|---|---|
| InChI | InChI=1S/C21H14O3/c22-19-12-18(21(24)17-10-4-3-9-15(17)19)20(23)16-11-5-7-13-6-1-2-8-14(13)16/h1-12,20,23H |
| InChIKey | CXDXULHXIFUHRH-UHFFFAOYSA-N |
| Mol Weight | 314.34 g/mol |
| Molecular Formula | C21H14O3 |
| Exact Mass | 314.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2QBItHKCDI |
|---|---|
| Name | 2-(1'-Hydroxy-1'-naphthylmethyl)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.094294308 u |
| Formula | C21H14O3 |
| InChI | InChI=1S/C21H14O3/c22-19-12-18(21(24)17-10-4-3-9-15(17)19)20(23)16-11-5-7-13-6-1-2-8-14(13)16/h1-12,20,23H |
| InChIKey | CXDXULHXIFUHRH-UHFFFAOYSA-N |
| Molecular Weight | 314.340 g/mol |
| SMILES | C=1(C(C2=CC=CC=C2C(C1)=O)=O)C(C=1C=2C(=CC=CC2)C=CC1)O |