| SpectraBase Compound ID | BEQ61ITeSWM |
|---|---|
| InChI | InChI=1S/C7H6N2O/c1-9-3-2-7(10)6(4-8)5-9/h2-3,5H,1H3 |
| InChIKey | VVNHMAOQCMDJHT-UHFFFAOYSA-N |
| Mol Weight | 134.14 g/mol |
| Molecular Formula | C7H6N2O |
| Exact Mass | 134.048013 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LAiL33jJX3H |
|---|---|
| Name | 3-Pyridinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.048012820 u |
| Formula | C7H6N2O |
| InChI | InChI=1S/C7H6N2O/c1-9-3-2-7(10)6(4-8)5-9/h2-3,5H,1H3 |
| InChIKey | VVNHMAOQCMDJHT-UHFFFAOYSA-N |
| Molecular Weight | 134.138 g/mol |
| SMILES | C(#N)C=1C(=O)C=CN(C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974185 |