| SpectraBase Compound ID | 6yrMTfu9qbZ |
|---|---|
| InChI | InChI=1S/C11H12Cl3NO/c12-5-1-2-11(16)15-7-8-3-4-9(13)10(14)6-8/h3-4,6H,1-2,5,7H2,(H,15,16) |
| InChIKey | XTBYSOGOVOUAIF-UHFFFAOYSA-N |
| Mol Weight | 280.58 g/mol |
| Molecular Formula | C11H12Cl3NO |
| Exact Mass | 278.998447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItCLatBk7XW |
|---|---|
| Name | 4-Chloro-N-(3,4-dichlorobenzyl)butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.998447109 u |
| Formula | C11H12Cl3NO |
| InChI | InChI=1S/C11H12Cl3NO/c12-5-1-2-11(16)15-7-8-3-4-9(13)10(14)6-8/h3-4,6H,1-2,5,7H2,(H,15,16) |
| InChIKey | XTBYSOGOVOUAIF-UHFFFAOYSA-N |
| Molecular Weight | 280.582 g/mol |
| SMILES | N(C(=O)CCCCl)CC1=CC(=C(C=C1)Cl)Cl |