| SpectraBase Compound ID | 2TeXxppUKBc |
|---|---|
| InChI | InChI=1S/C8H8N2O/c11-4-2-1-3-8-5-9-7-10-6-8/h5-7,11H,2,4H2 |
| InChIKey | CGVIOMLRJPPRKB-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C8H8N2O |
| Exact Mass | 148.063663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JtyQ0aNXir |
|---|---|
| Name | 3-Butyn-1-ol, 4-(5-pyrimidinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.063662885 u |
| Formula | C8H8N2O |
| InChI | InChI=1S/C8H8N2O/c11-4-2-1-3-8-5-9-7-10-6-8/h5-7,11H,2,4H2 |
| InChIKey | CGVIOMLRJPPRKB-UHFFFAOYSA-N |
| SMILES | OCCC#CC1=CN=CN=C1 |