| SpectraBase Compound ID | A9gwPjRiRFL |
|---|---|
| InChI | InChI=1S/C12H15Cl2NO/c1-2-3-4-7-15-12(16)10-6-5-9(13)8-11(10)14/h5-6,8H,2-4,7H2,1H3,(H,15,16) |
| InChIKey | QLFOKAOJSCZXRM-UHFFFAOYSA-N |
| Mol Weight | 260.16 g/mol |
| Molecular Formula | C12H15Cl2NO |
| Exact Mass | 259.05307 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9YoNIIX2nee |
|---|---|
| Name | Benzamide, 2,4-dichloro-N-pentyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.053069506 u |
| Formula | C12H15Cl2NO |
| InChI | InChI=1S/C12H15Cl2NO/c1-2-3-4-7-15-12(16)10-6-5-9(13)8-11(10)14/h5-6,8H,2-4,7H2,1H3,(H,15,16) |
| InChIKey | QLFOKAOJSCZXRM-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1Cl)C(NCCCCC)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828118 |