![7-Butyl-12-methylbenz[A]anthracene](/api/spectrum/CYwNLPGt1rO/structure.png?h=300&w=458 "7-Butyl-12-methylbenz[A]anthracene")
| SpectraBase Compound ID | 9AnASbjLCz2 |
|---|---|
| InChI | InChI=1S/C23H22/c1-3-4-10-21-20-13-8-7-11-18(20)16(2)23-19-12-6-5-9-17(19)14-15-22(21)23/h5-9,11-15H,3-4,10H2,1-2H3 |
| InChIKey | PBRXQWATBIWVFV-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C23H22 |
| Exact Mass | 298.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYwNLPGt1rO |
|---|---|
| Name | 7-Butyl-12-methylbenz[A]anthracene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.172150708 u |
| Formula | C23H22 |
| InChI | InChI=1S/C23H22/c1-3-4-10-21-20-13-8-7-11-18(20)16(2)23-19-12-6-5-9-17(19)14-15-22(21)23/h5-9,11-15H,3-4,10H2,1-2H3 |
| InChIKey | PBRXQWATBIWVFV-UHFFFAOYSA-N |
| SMILES | C1=CC2=C(C=C1)C(=C1C(=C2CCCC)C=CC2=C1C=CC=C2)C |