| SpectraBase Compound ID | FNbRuiQqVAY |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-18-16(17)14-8-4-6-12-10-9-11-5-2-3-7-13(11)15(12)14/h2-10H,1H3 |
| InChIKey | YFZHEMZULMTHPM-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Y2zNpWoLuO |
|---|---|
| Name | 4-Phenanthrenecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.083729624 u |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c1-18-16(17)14-8-4-6-12-10-9-11-5-2-3-7-13(11)15(12)14/h2-10H,1H3 |
| InChIKey | YFZHEMZULMTHPM-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C=12C=CC=CC1C=CC=1C=CC=C(C21)C(OC)=O |