| SpectraBase Compound ID | 9vlQcWzbfVh |
|---|---|
| InChI | InChI=1S/C12H17Cl2N/c1-2-3-7-15-8-6-10-4-5-11(13)9-12(10)14/h4-5,9,15H,2-3,6-8H2,1H3 |
| InChIKey | UQLJYKLHVLYMDK-UHFFFAOYSA-N |
| Mol Weight | 246.18 g/mol |
| Molecular Formula | C12H17Cl2N |
| Exact Mass | 245.073805 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39tnUk2YnWU |
|---|---|
| Name | N-Butyl-2,4-dichlorophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.073804951 u |
| Formula | C12H17Cl2N |
| InChI | InChI=1S/C12H17Cl2N/c1-2-3-7-15-8-6-10-4-5-11(13)9-12(10)14/h4-5,9,15H,2-3,6-8H2,1H3 |
| InChIKey | UQLJYKLHVLYMDK-UHFFFAOYSA-N |
| Molecular Weight | 246.181 g/mol |
| SMILES | C=1(C(=CC=C(C1)Cl)CCNCCCC)Cl |