SpectraBase Spectrum ID |
AaEDvC7A7Do |
Name |
Benzamide, 2-bromo-N-(2-pentyl)-N-(3-methylbutyl)- |
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/c1-5-8-14(4)19(12-11-13(2)3)17(20)15-9-6-7-10-16(15)18/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3 |
InChIKey |
KEGWCYOBUKCGIR-UHFFFAOYSA-N |
Molecular Weight |
340.305 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)C=1C(Br)=CC=CC1)CC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923791 |