| SpectraBase Compound ID | CgxIFNwqjdK |
|---|---|
| InChI | InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3 |
| InChIKey | WVUULNDRFBHTFG-UHFFFAOYSA-N |
| Mol Weight | 149.66 g/mol |
| Molecular Formula | C7H16ClN |
| Exact Mass | 149.097127 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8vkrf6rrFAx |
|---|---|
| Name | 1-Propanamine, 3-chloro-N,N-diethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.097127219 u |
| Formula | C7H16ClN |
| InChI | InChI=1S/C7H16ClN/c1-3-9(4-2)7-5-6-8/h3-7H2,1-2H3 |
| InChIKey | WVUULNDRFBHTFG-UHFFFAOYSA-N |
| Molecular Weight | 149.665 g/mol |
| SMILES | C(Cl)CCN(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917879 |