| SpectraBase Compound ID | GbAYcKDWyp7 |
|---|---|
| InChI | InChI=1S/C18H25Cl2NO2/c1-3-5-7-17(22)21(18(23)8-6-4-2)12-11-14-9-10-15(19)13-16(14)20/h9-10,13H,3-8,11-12H2,1-2H3 |
| InChIKey | VCMQEGRTGXXAHG-UHFFFAOYSA-N |
| Mol Weight | 358.31 g/mol |
| Molecular Formula | C18H25Cl2NO2 |
| Exact Mass | 357.126234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jMu6ayOkpL |
|---|---|
| Name | 2,4-Dichlorophenethylamine 2pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.126234447 u |
| Formula | C18H25Cl2NO2 |
| InChI | InChI=1S/C18H25Cl2NO2/c1-3-5-7-17(22)21(18(23)8-6-4-2)12-11-14-9-10-15(19)13-16(14)20/h9-10,13H,3-8,11-12H2,1-2H3 |
| InChIKey | VCMQEGRTGXXAHG-UHFFFAOYSA-N |
| Molecular Weight | 358.309 g/mol |
| SMILES | C(N(C(CCCC)=O)CCC=1C(=CC(=CC1)Cl)Cl)(CCCC)=O |