| SpectraBase Compound ID | JU663BTM7RL |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-10-5-6-11-8-12-3-2-4-14(16(17)18)15(12)9-13(11)7-10/h2-9H,1H3,(H,17,18) |
| InChIKey | RXIUNUVILHNWHH-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 | 7kqxFMsyJBg |
|---|---|
| Name | 7-Methyl-1-anthracenecarboxylic acid |
| 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/c1-10-5-6-11-8-12-3-2-4-14(16(17)18)15(12)9-13(11)7-10/h2-9H,1H3,(H,17,18) |
| InChIKey | RXIUNUVILHNWHH-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C=1(C=CC=C2C=C3C=CC(=CC3=CC12)C)C(=O)O |