SpectraBase Compound ID | 1KxU44PAOAy |
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InChI | InChI=1S/C10H14BrNO/c11-9-3-5-10(6-4-9)12-7-1-2-8-13/h3-6,12-13H,1-2,7-8H2 |
InChIKey | GEJGZKAEMDKZFL-UHFFFAOYSA-N |
Mol Weight | 244.13 g/mol |
Molecular Formula | C10H14BrNO |
Exact Mass | 243.025877 g/mol |
SpectraBase Spectrum ID | 7qUICjMx4RZ |
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Name | 4-[(4-Bromophenyl)amino]butan-1-ol |
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/c11-9-3-5-10(6-4-9)12-7-1-2-8-13/h3-6,12-13H,1-2,7-8H2 |
InChIKey | GEJGZKAEMDKZFL-UHFFFAOYSA-N |
Molecular Weight | 244.132 g/mol |
SMILES | C(NC1=CC=C(C=C1)Br)CCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927388 |