| SpectraBase Compound ID | D5HUgTARJ56 |
|---|---|
| InChI | InChI=1S/C7H9NO/c1-7(9)8-5-3-2-4-6-8/h3-6H,2H2,1H3 |
| InChIKey | YPZBIQKYSOYOGV-UHFFFAOYSA-N |
| Mol Weight | 123.15 g/mol |
| Molecular Formula | C7H9NO |
| Exact Mass | 123.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CPDxa5ejTYc |
|---|---|
| Name | 4(H)-Pyridine, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.068413913 u |
| Formula | C7H9NO |
| InChI | InChI=1S/C7H9NO/c1-7(9)8-5-3-2-4-6-8/h3-6H,2H2,1H3 |
| InChIKey | YPZBIQKYSOYOGV-UHFFFAOYSA-N |
| Molecular Weight | 123.155 g/mol |
| SMILES | C1=CCC=CN1C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975108 |