| SpectraBase Compound ID | Cd3CIUAYNz8 |
|---|---|
| InChI | InChI=1S/C18H14O2/c1-12-16(11-13-7-3-2-4-8-13)18(20)15-10-6-5-9-14(15)17(12)19/h2-10H,11H2,1H3 |
| InChIKey | ZBVWBAAUURREBF-UHFFFAOYSA-N |
| Mol Weight | 262.31 g/mol |
| Molecular Formula | C18H14O2 |
| Exact Mass | 262.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FkV0PuRBNB |
|---|---|
| Name | 2-Benzyl-3-methyl-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.099379689 u |
| Formula | C18H14O2 |
| InChI | InChI=1S/C18H14O2/c1-12-16(11-13-7-3-2-4-8-13)18(20)15-10-6-5-9-14(15)17(12)19/h2-10H,11H2,1H3 |
| InChIKey | ZBVWBAAUURREBF-UHFFFAOYSA-N |
| Molecular Weight | 262.308 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)C)CC=1C=CC=CC1 |