![Benz[A]anthracene-7-carboxylic acid](/api/spectrum/I9HT3RkIA5n/structure.png?h=300&w=458 "Benz[A]anthracene-7-carboxylic acid")
| SpectraBase Compound ID | 4h7LGTnWsFl |
|---|---|
| InChI | InChI=1S/C19H12O2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H,(H,20,21) |
| InChIKey | NFKZAKQDYURSRF-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C19H12O2 |
| Exact Mass | 272.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I9HT3RkIA5n |
|---|---|
| Name | Benz[A]anthracene-7-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.083729624 u |
| Formula | C19H12O2 |
| InChI | InChI=1S/C19H12O2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H,(H,20,21) |
| InChIKey | NFKZAKQDYURSRF-UHFFFAOYSA-N |
| SMILES | C1=CC2=C(C=C1)C=C1C(=C2C(O)=O)C=CC2=C1C=CC=C2 |