| SpectraBase Compound ID | E8uvhRU3FQY |
|---|---|
| InChI | InChI=1S/C20H16/c1-13-6-5-9-19-16(13)10-11-18-14(2)17-8-4-3-7-15(17)12-20(18)19/h3-12H,1-2H3 |
| InChIKey | KNCQXRZODUTASC-UHFFFAOYSA-N |
| Mol Weight | 256.35 g/mol |
| Molecular Formula | C20H16 |
| Exact Mass | 256.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbZQLZc1656 |
|---|---|
| Name | Benz(A)anthracene, 4,7-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/c1-13-6-5-9-19-16(13)10-11-18-14(2)17-8-4-3-7-15(17)12-20(18)19/h3-12H,1-2H3 |
| InChIKey | KNCQXRZODUTASC-UHFFFAOYSA-N |
| Molecular Weight | 256.348 g/mol |
| SMILES | C1=CC2=C(C=C1)C=C1C(=C2C)C=CC2=C1C=CC=C2C |