| SpectraBase Compound ID | 6acglNbJ2Qb |
|---|---|
| InChI | InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H |
| InChIKey | HSQDWKSXSIUOJC-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C12H8N2 |
| Exact Mass | 180.068748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ASSbThUNX00 |
|---|---|
| Name | 5-(Phenylethynyl)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.068748266 u |
| Formula | C12H8N2 |
| InChI | InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H |
| InChIKey | HSQDWKSXSIUOJC-UHFFFAOYSA-N |
| Molecular Weight | 180.210 g/mol |
| SMILES | C1=NC=C(C=N1)C#CC1=CC=CC=C1 |