SpectraBase Spectrum ID |
ANe28hpBT9d |
Name |
Benzamide, 2-bromo-N-ethyl-N-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.119777460 u |
Formula |
C17H26BrNO |
InChI |
InChI=1S/C17H26BrNO/c1-3-5-6-7-8-11-14-19(4-2)17(20)15-12-9-10-13-16(15)18/h9-10,12-13H,3-8,11,14H2,1-2H3 |
InChIKey |
XKNXAFQWUBCYIH-UHFFFAOYSA-N |
Molecular Weight |
340.305 g/mol |
SMILES |
C1=C(C(=CC=C1)C(N(CC)CCCCCCCC)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803894 |