| SpectraBase Compound ID | 4J8ltNebOQs |
|---|---|
| InChI | InChI=1S/C12H18BrN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3 |
| InChIKey | JBXQBLGZXVYITJ-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 | HmthHPlmjyx |
|---|---|
| Name | N-Pentyl-3-bromobenzylamine |
| 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/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3 |
| InChIKey | JBXQBLGZXVYITJ-UHFFFAOYSA-N |
| Molecular Weight | 256.187 g/mol |
| SMILES | C=1(CNCCCCC)C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903947 |