| SpectraBase Compound ID | AOh0ufXCGUf |
|---|---|
| InChI | InChI=1S/C13H20BrN/c1-3-9-15(4-2)10-8-12-6-5-7-13(14)11-12/h5-7,11H,3-4,8-10H2,1-2H3 |
| InChIKey | PSVWSTPSCKVDNP-UHFFFAOYSA-N |
| Mol Weight | 270.21 g/mol |
| Molecular Formula | C13H20BrN |
| Exact Mass | 269.077913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXv6KM10jPW |
|---|---|
| Name | N-Ethyl-N-propyl-3-bromophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.077912648 u |
| Formula | C13H20BrN |
| InChI | InChI=1S/C13H20BrN/c1-3-9-15(4-2)10-8-12-6-5-7-13(14)11-12/h5-7,11H,3-4,8-10H2,1-2H3 |
| InChIKey | PSVWSTPSCKVDNP-UHFFFAOYSA-N |
| SMILES | C=1(C=C(C=CC1)Br)CCN(CCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918312 |