| SpectraBase Compound ID | EMMl5jtsHo4 |
|---|---|
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-4,7H,1H3 |
| InChIKey | FZFHTWMHKXJIKR-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPrPBEDkZPM |
|---|---|
| Name | Methyl 3-(2-pyridinyl)-2-propynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.047678467 u |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-4,7H,1H3 |
| InChIKey | FZFHTWMHKXJIKR-UHFFFAOYSA-N |
| Molecular Weight | 161.160 g/mol |
| SMILES | C(#CC=1N=CC=CC1)C(=O)OC |