| SpectraBase Compound ID | 3CPOmqQvevw |
|---|---|
| InChI | InChI=1S/C12H10N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-9H,(H,14,15) |
| InChIKey | BBTGWRLIETYEJO-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C12H10N2O |
| Exact Mass | 198.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lh1SyKlxUvN |
|---|---|
| Name | Benzamide, N-3-pyridinyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.079312949 u |
| Formula | C12H10N2O |
| InChI | InChI=1S/C12H10N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-9H,(H,14,15) |
| InChIKey | BBTGWRLIETYEJO-UHFFFAOYSA-N |
| Molecular Weight | 198.225 g/mol |
| SMILES | C(=O)(NC1=CC=CN=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934821 |