![3-[(4-Bromobenzyl)amino]-1-propanol](/api/spectrum/D5kjpnB8vkN/structure.png?h=300&w=458 "3-[(4-Bromobenzyl)amino]-1-propanol")
| SpectraBase Compound ID | FuLzgiQNgiT |
|---|---|
| InChI | InChI=1S/C10H14BrNO/c11-10-4-2-9(3-5-10)8-12-6-1-7-13/h2-5,12-13H,1,6-8H2 |
| InChIKey | GIYMFORZQSXEQM-UHFFFAOYSA-N |
| Mol Weight | 244.13 g/mol |
| Molecular Formula | C10H14BrNO |
| Exact Mass | 243.025877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D5kjpnB8vkN |
|---|---|
| Name | 3-[(4-Bromobenzyl)amino]-1-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.025877074 u |
| Formula | C10H14BrNO |
| InChI | InChI=1S/C10H14BrNO/c11-10-4-2-9(3-5-10)8-12-6-1-7-13/h2-5,12-13H,1,6-8H2 |
| InChIKey | GIYMFORZQSXEQM-UHFFFAOYSA-N |
| Molecular Weight | 244.132 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)CNCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831242 |