SpectraBase Spectrum ID |
Dc3ce49dhgw |
Name |
Cyclohexyl 4-bromo-2-ethoxybenzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.067741886 u |
Formula |
C15H20BrNO2 |
InChI |
InChI=1S/C15H20BrNO2/c1-2-19-14-10-11(16)8-9-13(14)15(18)17-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,17,18) |
InChIKey |
FFYXCPSJGXPOGV-UHFFFAOYSA-N |
Molecular Weight |
326.234 g/mol |
SMILES |
C1(Br)=CC(=C(C=C1)C(=O)NC1CCCCC1)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809602 |