| SpectraBase Compound ID | 8pwh03EsRc8 |
|---|---|
| InChI | InChI=1S/C19H11N/c20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H |
| InChIKey | XIOJYHPTSOMRDI-UHFFFAOYSA-N |
| Mol Weight | 253.3 g/mol |
| Molecular Formula | C19H11N |
| Exact Mass | 253.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZU5UMpxVen |
|---|---|
| Name | Benz(A)anthracene-7-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.089149358 u |
| Formula | C19H11N |
| InChI | InChI=1S/C19H11N/c20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H |
| InChIKey | XIOJYHPTSOMRDI-UHFFFAOYSA-N |
| Molecular Weight | 253.304 g/mol |
| SMILES | C1=CC2=C(C=C1)C=C1C(=C2C#N)C=CC2=C1C=CC=C2 |