SpectraBase Spectrum ID |
2vaQV9UXFuM |
Name |
Benzamide, 2-bromo-N-(2-phenylethyl)-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
373.104127396 u |
Formula |
C20H24BrNO |
InChI |
InChI=1S/C20H24BrNO/c1-2-3-9-15-22(16-14-17-10-5-4-6-11-17)20(23)18-12-7-8-13-19(18)21/h4-8,10-13H,2-3,9,14-16H2,1H3 |
InChIKey |
RVUVCOOLTBCULI-UHFFFAOYSA-N |
Molecular Weight |
374.322 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=CC1)Br)CCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925366 |