SpectraBase Compound ID | DtubM7tvZwK |
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InChI | InChI=1S/C9H12BrNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2 |
InChIKey | GOTOOAFMQJAGTN-UHFFFAOYSA-N |
Mol Weight | 230.1 g/mol |
Molecular Formula | C9H12BrNO |
Exact Mass | 229.010227 g/mol |
SpectraBase Spectrum ID | HF72354EKnN |
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Name | 2-[(2-Bromobenzyl)amino]ethanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 229.010227009 u |
Formula | C9H12BrNO |
InChI | InChI=1S/C9H12BrNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2 |
InChIKey | GOTOOAFMQJAGTN-UHFFFAOYSA-N |
Molecular Weight | 230.105 g/mol |
SMILES | C(CNCC=1C(=CC=CC1)Br)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939117 |