| SpectraBase Compound ID | CtZgsEd22Vg |
|---|---|
| InChI | InChI=1S/C18H10O4/c19-17(20)13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(21)22/h1-8H,(H,19,20)(H,21,22) |
| InChIKey | VPFNQPKIUJJSEN-UHFFFAOYSA-N |
| Mol Weight | 290.27 g/mol |
| Molecular Formula | C18H10O4 |
| Exact Mass | 290.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 31H3og3As9s |
|---|---|
| Name | 1,2-Pyrenedicarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.057908798 u |
| Formula | C18H10O4 |
| InChI | InChI=1S/C18H10O4/c19-17(20)13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(21)22/h1-8H,(H,19,20)(H,21,22) |
| InChIKey | VPFNQPKIUJJSEN-UHFFFAOYSA-N |
| SMILES | C1(=CC2=C3C(=C1C(O)=O)C=CC1=C3C(C=C2)=CC=C1)C(O)=O |