| SpectraBase Compound ID | F8WneRDc5Fp |
|---|---|
| InChI | InChI=1S/C22H12N2/c1(7-17-13-19-9-3-5-11-21(19)23-15-17)2-8-18-14-20-10-4-6-12-22(20)24-16-18/h3-6,9-16H |
| InChIKey | CFPPRAOYVOCZPQ-UHFFFAOYSA-N |
| Mol Weight | 304.35 g/mol |
| Molecular Formula | C22H12N2 |
| Exact Mass | 304.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzqWWfzKlXE |
|---|---|
| Name | 1,4-di(3'-Quinolyl)-1,3-butadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.100048394 u |
| Formula | C22H12N2 |
| InChI | InChI=1S/C22H12N2/c1(7-17-13-19-9-3-5-11-21(19)23-15-17)2-8-18-14-20-10-4-6-12-22(20)24-16-18/h3-6,9-16H |
| InChIKey | CFPPRAOYVOCZPQ-UHFFFAOYSA-N |
| Molecular Weight | 304.352 g/mol |
| SMILES | C(C#CC1=CC2=CC=CC=C2N=C1)#CC1=CC2=CC=CC=C2N=C1 |