| SpectraBase Compound ID | 44ltoMnZ3Sh |
|---|---|
| InChI | InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| Mol Weight | 186.05 g/mol |
| Molecular Formula | C7H8BrN |
| Exact Mass | 184.984012 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Ql2tLqmMtq |
|---|---|
| Name | p-Bromobenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.984012262 u |
| Formula | C7H8BrN |
| InChI | InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| Molecular Weight | 186.052 g/mol |
| SMILES | C1(Br)=CC=C(CN)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82384 |