| SpectraBase Compound ID | CFjJYL124uE |
|---|---|
| InChI | InChI=1S/C12H8ClNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H |
| InChIKey | MDGKXQYPOIIMHW-UHFFFAOYSA-N |
| Mol Weight | 217.65 g/mol |
| Molecular Formula | C12H8ClNO |
| Exact Mass | 217.029442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GxKveBpMLPJ |
|---|---|
| Name | Methanone, (3-chlorophenyl)-3-pyridinyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.029441581 u |
| Formula | C12H8ClNO |
| InChI | InChI=1S/C12H8ClNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H |
| InChIKey | MDGKXQYPOIIMHW-UHFFFAOYSA-N |
| Molecular Weight | 217.655 g/mol |
| SMILES | C(C=1C=C(Cl)C=CC1)(C=1C=NC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913397 |