| SpectraBase Compound ID | 3IG30fDqqBT |
|---|---|
| InChI | InChI=1S/C12H18BrN/c1-3-10(2)14-8-7-11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3 |
| InChIKey | NPPAXWUPBIOONL-UHFFFAOYSA-N |
| Mol Weight | 256.19 g/mol |
| Molecular Formula | C12H18BrN |
| Exact Mass | 255.062263 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E87fa962pue |
|---|---|
| Name | N-(2-Butyl)-3-bromophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.062262584 u |
| Formula | C12H18BrN |
| InChI | InChI=1S/C12H18BrN/c1-3-10(2)14-8-7-11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3 |
| InChIKey | NPPAXWUPBIOONL-UHFFFAOYSA-N |
| Molecular Weight | 256.187 g/mol |
| SMILES | C=1(C=C(C=CC1)Br)CCNC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948372 |