| SpectraBase Compound ID | 9hl5gmDXtuv |
|---|---|
| InChI | InChI=1S/C20H14O2/c1-22-20(21)19-8-4-7-15-17-10-9-13-5-2-3-6-14(13)16(17)11-12-18(15)19/h2-12H,1H3 |
| InChIKey | IWFIJMFJWRKOPY-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C20H14O2 |
| Exact Mass | 286.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgnqPCeCIRr |
|---|---|
| Name | 1-Chrysenecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.099379689 u |
| Formula | C20H14O2 |
| InChI | InChI=1S/C20H14O2/c1-22-20(21)19-8-4-7-15-17-10-9-13-5-2-3-6-14(13)16(17)11-12-18(15)19/h2-12H,1H3 |
| InChIKey | IWFIJMFJWRKOPY-UHFFFAOYSA-N |
| SMILES | C1=2C(=C3C=CC=CC3=CC2)C=CC=2C1=CC=CC2C(=O)OC |