| SpectraBase Compound ID | 26Ak9os42Mz |
|---|---|
| InChI | InChI=1S/C18H12O2/c19-16(20)10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)18(12)17(11)13/h1-9H,10H2,(H,19,20) |
| InChIKey | GJLRAJOEGIZXAU-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C18H12O2 |
| Exact Mass | 260.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Go0tXXuKiAc |
|---|---|
| Name | Pyrene-4-ethanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.083729624 u |
| Formula | C18H12O2 |
| InChI | InChI=1S/C18H12O2/c19-16(20)10-14-9-13-5-1-3-11-7-8-12-4-2-6-15(14)18(12)17(11)13/h1-9H,10H2,(H,19,20) |
| InChIKey | GJLRAJOEGIZXAU-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C3=C1C=C(CC(O)=O)C=1C3=C(C=CC1)C=C2 |