SpectraBase Spectrum ID |
AR50dZ8fja2 |
Name |
Benzamide, 4-ethyl-N-2-ethylhexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-4-7-8-15(6-3)13-18-17(19)16-11-9-14(5-2)10-12-16/h9-12,15H,4-8,13H2,1-3H3,(H,18,19) |
InChIKey |
UKMDNLIKCPLDBU-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1=C(C=CC(=C1)CC)C(NCC(CCCC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972115 |