| SpectraBase Compound ID | Fes8paEuex3 |
|---|---|
| InChI | InChI=1S/C7H13Cl2NO/c1-5(2)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11) |
| InChIKey | LLTJBNXCNDWEBM-UHFFFAOYSA-N |
| Mol Weight | 198.09 g/mol |
| Molecular Formula | C7H13Cl2NO |
| Exact Mass | 197.037419 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CUSMQQQh95A |
|---|---|
| Name | Dichloroacetamide, N-3-methylbutyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.037419442 u |
| Formula | C7H13Cl2NO |
| InChI | InChI=1S/C7H13Cl2NO/c1-5(2)3-4-10-7(11)6(8)9/h5-6H,3-4H2,1-2H3,(H,10,11) |
| InChIKey | LLTJBNXCNDWEBM-UHFFFAOYSA-N |
| Molecular Weight | 198.093 g/mol |
| SMILES | C(C(Cl)Cl)(NCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888107 |