| SpectraBase Compound ID | DWnR6s3Droc |
|---|---|
| InChI | InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3 |
| InChIKey | QXJKBPAVAHBARF-UHFFFAOYSA-N |
| Mol Weight | 284.14 g/mol |
| Molecular Formula | C13H11Cl2NO2 |
| Exact Mass | 283.016684 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J6cbDfqM9Zv |
|---|---|
| Name | Procymidone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.016683996 u |
| Formula | C13H11Cl2NO2 |
| InChI | InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3 |
| InChIKey | QXJKBPAVAHBARF-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC(Cl)=CC(=C1)N1C(C2(C)CC2(C)C1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875676 |