![4-(6-Benzo[B]pyrenyl)-2-butanone](/api/spectrum/RObd7q8jbt/structure.png?h=300&w=458 "4-(6-Benzo[B]pyrenyl)-2-butanone")
| SpectraBase Compound ID | Cfm9PuPfGHa |
|---|---|
| InChI | InChI=1S/C24H18O/c1-15(25)9-12-20-18-7-2-3-8-19(18)21-13-10-16-5-4-6-17-11-14-22(20)24(21)23(16)17/h2-8,10-11,13-14H,9,12H2,1H3 |
| InChIKey | XWYDBDSIIHJEHX-UHFFFAOYSA-N |
| Mol Weight | 322.41 g/mol |
| Molecular Formula | C24H18O |
| Exact Mass | 322.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | RObd7q8jbt |
|---|---|
| Name | 4-(6-Benzo[B]pyrenyl)-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.135765199 u |
| Formula | C24H18O |
| InChI | InChI=1S/C24H18O/c1-15(25)9-12-20-18-7-2-3-8-19(18)21-13-10-16-5-4-6-17-11-14-22(20)24(21)23(16)17/h2-8,10-11,13-14H,9,12H2,1H3 |
| InChIKey | XWYDBDSIIHJEHX-UHFFFAOYSA-N |
| Molecular Weight | 322.407 g/mol |
| SMILES | C=12C3=C(CCC(=O)C)C=4C(C2=CC=C2C1C(C=C3)=CC=C2)=CC=CC4 |