amine](/api/spectrum/BD4NgPk0LUu/structure.png?h=300&w=458 "[2-(4-Chlorophenyl)ethyl](methyl)amine")
| SpectraBase Compound ID | 9zMdTHWOtRE |
|---|---|
| InChI | InChI=1S/C9H12ClN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3 |
| InChIKey | VCSUCPDSYSXLEX-UHFFFAOYSA-N |
| Mol Weight | 169.65 g/mol |
| Molecular Formula | C9H12ClN |
| Exact Mass | 169.065827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BD4NgPk0LUu |
|---|---|
| Name | [2-(4-Chlorophenyl)ethyl](methyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.065827090 u |
| Formula | C9H12ClN |
| InChI | InChI=1S/C9H12ClN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3 |
| InChIKey | VCSUCPDSYSXLEX-UHFFFAOYSA-N |
| Molecular Weight | 169.655 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)CCNC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873595 |