| SpectraBase Compound ID | KWzMU8nJCnb |
|---|---|
| InChI | InChI=1S/C21H30N2/c1-4-7-10-13-16-20-18-19(15-12-9-6-3)22-21(23-20)17-14-11-8-5-2/h18H,4-12,15H2,1-3H3 |
| InChIKey | UUKWQQDMNLGSPO-UHFFFAOYSA-N |
| Mol Weight | 310.49 g/mol |
| Molecular Formula | C21H30N2 |
| Exact Mass | 310.240899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95lr9mWk8lR |
|---|---|
| Name | 2,4-bis(hex-1-Ynyl)-6-pentyl-pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.240898974 u |
| Formula | C21H30N2 |
| InChI | InChI=1S/C21H30N2/c1-4-7-10-13-16-20-18-19(15-12-9-6-3)22-21(23-20)17-14-11-8-5-2/h18H,4-12,15H2,1-3H3 |
| InChIKey | UUKWQQDMNLGSPO-UHFFFAOYSA-N |
| SMILES | C=1(N=C(C=C(N1)C#CCCCC)CCCCC)C#CCCCC |