SpectraBase Spectrum ID |
2QeyUiFrHIC |
Name |
Hexanamide, N,N-dioctyl-6-chloro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
373.311142740 u |
Formula |
C22H44ClNO |
InChI |
InChI=1S/C22H44ClNO/c1-3-5-7-9-11-16-20-24(21-17-12-10-8-6-4-2)22(25)18-14-13-15-19-23/h3-21H2,1-2H3 |
InChIKey |
YCAKAOFECFRADB-UHFFFAOYSA-N |
Molecular Weight |
374.053 g/mol |
SMILES |
CCCCCCCCN(C(CCCCCCl)=O)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904625 |