| SpectraBase Compound ID | DgsOFRK6q65 |
|---|---|
| InChI | InChI=1S/C9H9NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h2-5,7H,1,6H2 |
| InChIKey | SJUZMXLTUGZSSQ-UHFFFAOYSA-N |
| Mol Weight | 163.18 g/mol |
| Molecular Formula | C9H9NO2 |
| Exact Mass | 163.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8KBfbVzYCTz |
|---|---|
| Name | 3-Pyridinecarboxylic acid, 2-propenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.063328532 u |
| Formula | C9H9NO2 |
| InChI | InChI=1S/C9H9NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h2-5,7H,1,6H2 |
| InChIKey | SJUZMXLTUGZSSQ-UHFFFAOYSA-N |
| SMILES | C1(C(OCC=C)=O)=CC=CN=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945935 |