| SpectraBase Compound ID | EQ2Z1gt5kAv |
|---|---|
| InChI | InChI=1S/C11H16BrN/c1-3-9(2)13-8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3 |
| InChIKey | BBPAAXNPAVJXOD-UHFFFAOYSA-N |
| Mol Weight | 242.16 g/mol |
| Molecular Formula | C11H16BrN |
| Exact Mass | 241.046613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3sxe9RfVLgT |
|---|---|
| Name | N-(4-Bromobenzyl)-2-butanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.046612519 u |
| Formula | C11H16BrN |
| InChI | InChI=1S/C11H16BrN/c1-3-9(2)13-8-10-4-6-11(12)7-5-10/h4-7,9,13H,3,8H2,1-2H3 |
| InChIKey | BBPAAXNPAVJXOD-UHFFFAOYSA-N |
| Molecular Weight | 242.160 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)CNC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870787 |