SpectraBase Spectrum ID |
LCHuqY8Mn88 |
Name |
4-Chlorobenzamide, 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/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,17,18) |
InChIKey |
WCQSENGNTVLFDR-UHFFFAOYSA-N |
Molecular Weight |
267.800 g/mol |
SMILES |
C1(=CC=C(C=C1)C(NCC(CCCC)CC)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930599 |