| SpectraBase Compound ID | EnsLCCXidyO |
|---|---|
| InChI | InChI=1S/C11H16BrN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8,13H,2-3,7,9H2,1H3 |
| InChIKey | WBAYBKZTZNUUAS-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 | ERW90RRWCQ4 |
|---|---|
| Name | N-Butyl-3-bromobenzylamine |
| 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/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8,13H,2-3,7,9H2,1H3 |
| InChIKey | WBAYBKZTZNUUAS-UHFFFAOYSA-N |
| Molecular Weight | 242.160 g/mol |
| SMILES | C=1(C=C(C=CC1)Br)CNCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866665 |