| SpectraBase Compound ID | GGOhMhSKFdk |
|---|---|
| InChI | InChI=1S/C16H8N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H |
| InChIKey | HSDZSLMBBGAGSP-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C16H8N2 |
| Exact Mass | 228.068748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3UjzWNpxmY |
|---|---|
| Name | 1,8-Anthracenedicarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.068748266 u |
| Formula | C16H8N2 |
| InChI | InChI=1S/C16H8N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H |
| InChIKey | HSDZSLMBBGAGSP-UHFFFAOYSA-N |
| Molecular Weight | 228.254 g/mol |
| SMILES | C12=CC3=C(C#N)C=CC=C3C=C2C=CC=C1C#N |