SpectraBase Spectrum ID |
3yQ48ahJpdI |
Name |
Benzamide, 2-bromo-N-decyl- |
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/c1-2-3-4-5-6-7-8-11-14-19-17(20)15-12-9-10-13-16(15)18/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20) |
InChIKey |
USCAYTCAWRCCBC-UHFFFAOYSA-N |
Molecular Weight |
340.305 g/mol |
SMILES |
C1=C(C(=CC=C1)C(NCCCCCCCCCC)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921589 |