SpectraBase Spectrum ID |
J2EkV0xll94 |
Name |
Hexanamide, N-hexadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.350115072 u |
Formula |
C22H45NO |
InChI |
InChI=1S/C22H45NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-23-22(24)20-18-6-4-2/h3-21H2,1-2H3,(H,23,24) |
InChIKey |
JWOJHTIDLZMPRZ-UHFFFAOYSA-N |
Molecular Weight |
339.608 g/mol |
SMILES |
C(CCCCC)(NCCCCCCCCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888243 |