| SpectraBase Compound ID | 4nzVD43hKMV |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-2-9(11)12-7-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3 |
| InChIKey | MIBYGAYSSRVCOW-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYl8vJutLgF |
|---|---|
| Name | Propionic acid, picolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-2-9(11)12-7-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3 |
| InChIKey | MIBYGAYSSRVCOW-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C1(=CN=CC=C1)COC(CC)=O |