SpectraBase Spectrum ID |
L0cxWrx2E14 |
Name |
Benzamide, 4-bromo-N-(2-phenylethyl)-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
359.088477331 u |
Formula |
C19H22BrNO |
InChI |
InChI=1S/C19H22BrNO/c1-2-3-14-21(15-13-16-7-5-4-6-8-16)19(22)17-9-11-18(20)12-10-17/h4-12H,2-3,13-15H2,1H3 |
InChIKey |
YFMWFIWNQOGZDF-UHFFFAOYSA-N |
Molecular Weight |
360.295 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC(=CC1)Br)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887716 |