| SpectraBase Compound ID | Kl0QnvuqsTy |
|---|---|
| InChI | InChI=1S/C20H16/c1-13-6-5-9-17-14(2)20-16(12-19(13)17)11-10-15-7-3-4-8-18(15)20/h3-12H,1-2H3 |
| InChIKey | FBIFSZUQMIZITB-UHFFFAOYSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C20H16 |
| Exact Mass | 256.125201 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 | 56gLCli1XVp |
|---|---|
| Name | Benz(A)anthracene, 8,12-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.125200515 u |
| Formula | C20H16 |
| InChI | InChI=1S/C20H16/c1-13-6-5-9-17-14(2)20-16(12-19(13)17)11-10-15-7-3-4-8-18(15)20/h3-12H,1-2H3 |
| InChIKey | FBIFSZUQMIZITB-UHFFFAOYSA-N |
| Molecular Weight | 256.348 g/mol |
| SMILES | C1=C(C2=C(C=C1)C(=C1C(=C2)C=CC2=C1C=CC=C2)C)C |