![1,8-bis[(5'-Pyrimidyl)ethynyl]naphthalene](/api/spectrum/FnNLc0CzxII/structure.png?h=300&w=458 "1,8-bis[(5'-Pyrimidyl)ethynyl]naphthalene")
| SpectraBase Compound ID | 2QAaSC7QIRp |
|---|---|
| InChI | InChI=1S/C22H12N4/c1-3-19-4-2-6-21(10-8-18-13-25-16-26-14-18)22(19)20(5-1)9-7-17-11-23-15-24-12-17/h1-6,11-16H |
| InChIKey | PUFXMYKSPDZKNI-UHFFFAOYSA-N |
| Mol Weight | 332.37 g/mol |
| Molecular Formula | C22H12N4 |
| Exact Mass | 332.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnNLc0CzxII |
|---|---|
| Name | 1,8-bis[(5'-Pyrimidyl)ethynyl]naphthalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.106196402 u |
| Formula | C22H12N4 |
| InChI | InChI=1S/C22H12N4/c1-3-19-4-2-6-21(10-8-18-13-25-16-26-14-18)22(19)20(5-1)9-7-17-11-23-15-24-12-17/h1-6,11-16H |
| InChIKey | PUFXMYKSPDZKNI-UHFFFAOYSA-N |
| Molecular Weight | 332.366 g/mol |
| SMILES | C(#CC1=CN=CN=C1)C=1C2=C(C#CC=3C=NC=NC3)C=CC=C2C=CC1 |