SpectraBase Spectrum ID |
AoVJLkoNxhw |
Name |
Benzamide, N-decyl-N-methyl-3-bromo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.135427525 u |
Formula |
C18H28BrNO |
InChI |
InChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-9-10-14-20(2)18(21)16-12-11-13-17(19)15-16/h11-13,15H,3-10,14H2,1-2H3 |
InChIKey |
ZZAQWDYCCPIGER-UHFFFAOYSA-N |
Molecular Weight |
354.332 g/mol |
SMILES |
C1(=CC=CC(=C1)C(N(C)CCCCCCCCCC)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8743 |