![8-Butoxybenzo[a]pyrene](/api/spectrum/F4qXVIqerJV/structure.png?h=300&w=458 "8-Butoxybenzo[a]pyrene")
| SpectraBase Compound ID | DrSvqiHWdCy |
|---|---|
| InChI | InChI=1S/C24H20O/c1-2-3-13-25-20-10-12-21-19(15-20)14-18-8-7-16-5-4-6-17-9-11-22(21)24(18)23(16)17/h4-12,14-15H,2-3,13H2,1H3 |
| InChIKey | JSBCYUGRTKGPSR-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C24H20O |
| Exact Mass | 324.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4qXVIqerJV |
|---|---|
| Name | 8-Butoxybenzo[A]pyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.151415263 u |
| Formula | C24H20O |
| InChI | InChI=1S/C24H20O/c1-2-3-13-25-20-10-12-21-19(15-20)14-18-8-7-16-5-4-6-17-9-11-22(21)24(18)23(16)17/h4-12,14-15H,2-3,13H2,1H3 |
| InChIKey | JSBCYUGRTKGPSR-UHFFFAOYSA-N |
| Molecular Weight | 324.423 g/mol |
| SMILES | C=12C=3C4=CC=C(C=C4C=C2C=CC=2C1C(=CC3)C=CC2)OCCCC |