| SpectraBase Compound ID | 40HGasACCnp |
|---|---|
| InChI | InChI=1S/C18H11N/c19-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9H,10H2 |
| InChIKey | CDATVYIWBHUBMH-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C18H11N |
| Exact Mass | 241.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNdrshElg9P |
|---|---|
| Name | 1-Pyreneethanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.089149358 u |
| Formula | C18H11N |
| InChI | InChI=1S/C18H11N/c19-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9H,10H2 |
| InChIKey | CDATVYIWBHUBMH-UHFFFAOYSA-N |
| Molecular Weight | 241.293 g/mol |
| SMILES | C1=CC2=C3C(=C1)C=CC=1C3=C(C=C2)C=CC1CC#N |