| SpectraBase Compound ID | AF3PaneCTnW |
|---|---|
| InChI | InChI=1S/C18H14O/c1-13-6-2-4-8-16(13)18-15(12-19)11-10-14-7-3-5-9-17(14)18/h2-12H,1H3 |
| InChIKey | AUXBSYDNEPQJKI-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C18H14O |
| Exact Mass | 246.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KU2PAC6uW3V |
|---|---|
| Name | 1-(o-Tolyl)naphthalene-2-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.104465070 u |
| Formula | C18H14O |
| InChI | InChI=1S/C18H14O/c1-13-6-2-4-8-16(13)18-15(12-19)11-10-14-7-3-5-9-17(14)18/h2-12H,1H3 |
| InChIKey | AUXBSYDNEPQJKI-UHFFFAOYSA-N |
| Molecular Weight | 246.309 g/mol |
| SMILES | C=1(C(=CC=C2C=CC=CC12)C=O)C=1C(=CC=CC1)C |