![Benz[a]anthracene-9-butanoic acid](/api/spectrum/D6UwyPbuG51/structure.png?h=300&w=458 "Benz[a]anthracene-9-butanoic acid")
| SpectraBase Compound ID | AF2l8jCsYaj |
|---|---|
| InChI | InChI=1S/C22H18O2/c23-22(24)7-3-4-15-8-9-17-14-21-18(13-19(17)12-15)11-10-16-5-1-2-6-20(16)21/h1-2,5-6,8-14H,3-4,7H2,(H,23,24) |
| InChIKey | OXYCPLROAATEIT-UHFFFAOYSA-N |
| Mol Weight | 314.38 g/mol |
| Molecular Formula | C22H18O2 |
| Exact Mass | 314.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6UwyPbuG51 |
|---|---|
| Name | Benz[A]anthracene-9-butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.130679818 u |
| Formula | C22H18O2 |
| InChI | InChI=1S/C22H18O2/c23-22(24)7-3-4-15-8-9-17-14-21-18(13-19(17)12-15)11-10-16-5-1-2-6-20(16)21/h1-2,5-6,8-14H,3-4,7H2,(H,23,24) |
| InChIKey | OXYCPLROAATEIT-UHFFFAOYSA-N |
| SMILES | C12=CC3=CC=C(C=C3C=C2C=CC=2C1=CC=CC2)CCCC(=O)O |