| SpectraBase Compound ID | E1dCJf7TCMn |
|---|---|
| InChI | InChI=1S/C22H16/c1-13-6-7-14(2)20-18-11-10-16-5-3-4-15-8-9-17(12-19(13)20)22(18)21(15)16/h3-12H,1-2H3 |
| InChIKey | XTPGPUORAJUZLH-UHFFFAOYSA-N |
| Mol Weight | 280.37 g/mol |
| Molecular Formula | C22H16 |
| Exact Mass | 280.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DO4wzu5mFHw |
|---|---|
| Name | 7,10-Dimethylbenzo(A)pyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.125200515 u |
| Formula | C22H16 |
| InChI | InChI=1S/C22H16/c1-13-6-7-14(2)20-18-11-10-16-5-3-4-15-8-9-17(12-19(13)20)22(18)21(15)16/h3-12H,1-2H3 |
| InChIKey | XTPGPUORAJUZLH-UHFFFAOYSA-N |
| SMILES | C1=2C3=CC=C4C2C(=CC=C4)C=CC1=CC1=C3C(=CC=C1C)C |