| SpectraBase Compound ID | 2zvVX8RjOOo |
|---|---|
| InChI | InChI=1S/C12H18BrN/c1-3-10(2)14-9-8-11-6-4-5-7-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3 |
| InChIKey | PBAVXADANIDKEZ-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 | 4ve9a0pQJ5D |
|---|---|
| Name | N-(2-Butyl)-2-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)14-9-8-11-6-4-5-7-12(11)13/h4-7,10,14H,3,8-9H2,1-2H3 |
| InChIKey | PBAVXADANIDKEZ-UHFFFAOYSA-N |
| Molecular Weight | 256.187 g/mol |
| SMILES | C=1(C(=CC=CC1)Br)CCNC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938415 |