| SpectraBase Compound ID | B5PppyfQTCG |
|---|---|
| InChI | InChI=1S/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4,6H,1-3H2 |
| InChIKey | QSUAMLALOPYUKF-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C9H8N2O |
| Exact Mass | 160.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5wayciCqW3Z |
|---|---|
| Name | 1H-1-Pyrindine-3-carbonitrile, 2,5,6,7-tetrahydro-2-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.063662885 u |
| Formula | C9H8N2O |
| InChI | InChI=1S/C9H8N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4,6H,1-3H2 |
| InChIKey | QSUAMLALOPYUKF-UHFFFAOYSA-N |
| Molecular Weight | 160.176 g/mol |
| SMILES | C=1(C(N=C2C(C1)CCC2)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869317 |