| SpectraBase Compound ID | B0mCHpeskIB |
|---|---|
| InChI | InChI=1S/C8H9Cl2N/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3 |
| InChIKey | UGXXPACFCQWAPG-UHFFFAOYSA-N |
| Mol Weight | 190.07 g/mol |
| Molecular Formula | C8H9Cl2N |
| Exact Mass | 189.011205 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EMdjlf6VnS1 |
|---|---|
| Name | (3,5-Dichlorophenyl)ethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.011204694 u |
| Formula | C8H9Cl2N |
| InChI | InChI=1S/C8H9Cl2N/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3 |
| InChIKey | UGXXPACFCQWAPG-UHFFFAOYSA-N |
| Molecular Weight | 190.073 g/mol |
| SMILES | C1(=CC(=CC(=C1)Cl)Cl)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814276 |