| SpectraBase Compound ID | IwGozZrkHHL |
|---|---|
| InChI | InChI=1S/C12H15Cl2NO/c1-2-3-12(16)15-7-6-9-4-5-10(13)8-11(9)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16) |
| InChIKey | JTHSKGNHGNVAHO-UHFFFAOYSA-N |
| Mol Weight | 260.16 g/mol |
| Molecular Formula | C12H15Cl2NO |
| Exact Mass | 259.05307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKcOUVFX3ws |
|---|---|
| Name | 2,4-Dichlorophenethylamine but |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.053069506 u |
| Formula | C12H15Cl2NO |
| InChI | InChI=1S/C12H15Cl2NO/c1-2-3-12(16)15-7-6-9-4-5-10(13)8-11(9)14/h4-5,8H,2-3,6-7H2,1H3,(H,15,16) |
| InChIKey | JTHSKGNHGNVAHO-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=CC1)Cl)Cl)CCNC(CCC)=O |