| SpectraBase Compound ID | EOJqRTpM7Nq |
|---|---|
| InChI | InChI=1S/C14H17Cl2NO2/c1-3-13(18)17(14(19)4-2)9-8-10-11(15)6-5-7-12(10)16/h5-7H,3-4,8-9H2,1-2H3 |
| InChIKey | KXLIOQNOZKEWJX-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H17Cl2NO2 |
| Exact Mass | 301.063634 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQiiV8kdCEi |
|---|---|
| Name | 2,6-Dichlorophenethylamine 2prop |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.063634189 u |
| Formula | C14H17Cl2NO2 |
| InChI | InChI=1S/C14H17Cl2NO2/c1-3-13(18)17(14(19)4-2)9-8-10-11(15)6-5-7-12(10)16/h5-7H,3-4,8-9H2,1-2H3 |
| InChIKey | KXLIOQNOZKEWJX-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1Cl)Cl)CCN(C(CC)=O)C(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923342 |