| SpectraBase Compound ID | WqIliB3nq |
|---|---|
| InChI | InChI=1S/C13H19Cl2N/c1-2-3-4-8-16-9-7-11-5-6-12(14)10-13(11)15/h5-6,10,16H,2-4,7-9H2,1H3 |
| InChIKey | PVILBXGGILDTFM-UHFFFAOYSA-N |
| Mol Weight | 260.21 g/mol |
| Molecular Formula | C13H19Cl2N |
| Exact Mass | 259.089455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcoaavIqb1U |
|---|---|
| Name | N-Pentyl-2,4-dichlorophenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.089455016 u |
| Formula | C13H19Cl2N |
| InChI | InChI=1S/C13H19Cl2N/c1-2-3-4-8-16-9-7-11-5-6-12(14)10-13(11)15/h5-6,10,16H,2-4,7-9H2,1H3 |
| InChIKey | PVILBXGGILDTFM-UHFFFAOYSA-N |
| Molecular Weight | 260.208 g/mol |
| SMILES | C=1(C(=CC=C(C1)Cl)CCNCCCCC)Cl |