SpectraBase Spectrum ID |
3PUkQIJ8yS2 |
Name |
Benzamide, 2-chloro-N-benzyl-N-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
357.185942225 u |
Formula |
C22H28ClNO |
InChI |
InChI=1S/C22H28ClNO/c1-2-3-4-5-6-12-17-24(18-19-13-8-7-9-14-19)22(25)20-15-10-11-16-21(20)23/h7-11,13-16H,2-6,12,17-18H2,1H3 |
InChIKey |
KYMGFGHEQMQLCV-UHFFFAOYSA-N |
Molecular Weight |
357.925 g/mol |
SMILES |
C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909983 |