SpectraBase Spectrum ID |
EZ7OuvgkGN5 |
Name |
Benzamide, 4-bromo-N-benzyl-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
345.072827267 u |
Formula |
C18H20BrNO |
InChI |
InChI=1S/C18H20BrNO/c1-2-3-13-20(14-15-7-5-4-6-8-15)18(21)16-9-11-17(19)12-10-16/h4-12H,2-3,13-14H2,1H3 |
InChIKey |
AVCPOYSZIUOBCR-UHFFFAOYSA-N |
Molecular Weight |
346.268 g/mol |
SMILES |
C(N(CCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803147 |