SpectraBase Spectrum ID |
HllL28uoNc0 |
Name |
Benzamide, 3-chloro-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.138992031 u |
Formula |
C15H22ClNO |
InChI |
InChI=1S/C15H22ClNO/c1-3-5-7-12(4-2)11-17-15(18)13-8-6-9-14(16)10-13/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,18) |
InChIKey |
LIJLHSKPHYMOAL-UHFFFAOYSA-N |
Molecular Weight |
267.800 g/mol |
SMILES |
C1=CC=C(C=C1Cl)C(NCC(CCCC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963149 |