SpectraBase Compound ID | 8CKnUwWcF60 |
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InChI | InChI=1S/C10H13Cl2N/c1-2-13-6-5-8-3-4-9(11)7-10(8)12/h3-4,7,13H,2,5-6H2,1H3 |
InChIKey | ZEJCWTAZWLXTAZ-UHFFFAOYSA-N |
Mol Weight | 218.13 g/mol |
Molecular Formula | C10H13Cl2N |
Exact Mass | 217.042505 g/mol |
SpectraBase Spectrum ID | j1RQNjdOOl |
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Name | N-Ethyl-2,4-dichlorophenethylamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 217.042504823 u |
Formula | C10H13Cl2N |
InChI | InChI=1S/C10H13Cl2N/c1-2-13-6-5-8-3-4-9(11)7-10(8)12/h3-4,7,13H,2,5-6H2,1H3 |
InChIKey | ZEJCWTAZWLXTAZ-UHFFFAOYSA-N |
Molecular Weight | 218.127 g/mol |
SMILES | C=1(C(=CC(=CC1)Cl)Cl)CCNCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86583 |