SpectraBase Compound ID | 7z14MsJ0XJ0 |
---|---|
InChI | InChI=1S/C10H14BrNO/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8H2 |
InChIKey | UQTFDGRFSIOWGV-UHFFFAOYSA-N |
Mol Weight | 244.13 g/mol |
Molecular Formula | C10H14BrNO |
Exact Mass | 243.025877 g/mol |
SpectraBase Spectrum ID | TYvthr3gqI |
---|---|
Name | N-(2-Hydroxyethyl)-4-bromophenethylamine |
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/c11-10-3-1-9(2-4-10)5-6-12-7-8-13/h1-4,12-13H,5-8H2 |
InChIKey | UQTFDGRFSIOWGV-UHFFFAOYSA-N |
Molecular Weight | 244.132 g/mol |
SMILES | C=1(C=CC(=CC1)Br)CCNCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971132 |