| SpectraBase Compound ID | 5dQ5LRpyyBX |
|---|---|
| InChI | InChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-3H,(H2,7,10)(H,8,9) |
| InChIKey | NGPNYDVHEUXWIA-UHFFFAOYSA-N |
| Mol Weight | 138.13 g/mol |
| Molecular Formula | C6H6N2O2 |
| Exact Mass | 138.042927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9PqTZN01ueB |
|---|---|
| Name | 3-Pyridinecarboxamide, 1,6-dihydro-6-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.042927439 u |
| Formula | C6H6N2O2 |
| InChI | InChI=1S/C6H6N2O2/c7-6(10)4-1-2-5(9)8-3-4/h1-3H,(H2,7,10)(H,8,9) |
| InChIKey | NGPNYDVHEUXWIA-UHFFFAOYSA-N |
| Molecular Weight | 138.126 g/mol |
| SMILES | C1(C=CC(=CN1)C(N)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984515 |