| SpectraBase Compound ID | 3afClLuS8dV |
|---|---|
| InChI | InChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,7H2 |
| InChIKey | JBTFIWAQYSBSEZ-UHFFFAOYSA-N |
| Mol Weight | 133.15 g/mol |
| Molecular Formula | C8H7NO |
| Exact Mass | 133.052764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1XSCJPDpCA |
|---|---|
| Name | 3-(2-Pyridinyl)-2-propyn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 133.052763848 u |
| Formula | C8H7NO |
| InChI | InChI=1S/C8H7NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,7H2 |
| InChIKey | JBTFIWAQYSBSEZ-UHFFFAOYSA-N |
| Molecular Weight | 133.150 g/mol |
| SMILES | C(#CCO)C1=NC=CC=C1 |