| SpectraBase Compound ID | 4OZ7uz37i72 |
|---|---|
| InChI | InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2 |
| InChIKey | AIHSYDQJCKBJHB-UHFFFAOYSA-N |
| Mol Weight | 216.08 g/mol |
| Molecular Formula | C8H10BrNO |
| Exact Mass | 214.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AU7HaHrcyeC |
|---|---|
| Name | 2-(4-Bromophenoxy)ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.994576945 u |
| Formula | C8H10BrNO |
| InChI | InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2 |
| InChIKey | AIHSYDQJCKBJHB-UHFFFAOYSA-N |
| Molecular Weight | 216.078 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)OCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873658 |