| SpectraBase Compound ID | BtCGM7lyW74 |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-11-9(12-2)7-8-5-3-4-6-10-8/h3-6,9H,7H2,1-2H3 |
| InChIKey | XATPKZLETYVZTO-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CjVVCC1Y1Y0 |
|---|---|
| Name | 2-(2,2-Dimethoxy-ethyl)-pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-11-9(12-2)7-8-5-3-4-6-10-8/h3-6,9H,7H2,1-2H3 |
| InChIKey | XATPKZLETYVZTO-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C1=NC(=CC=C1)CC(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900828 |