SpectraBase Spectrum ID |
S40z8tLFLB |
Name |
Isobutyramide, N-propyl-N-hexadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.365765136 u |
Formula |
C23H47NO |
InChI |
InChI=1S/C23H47NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(20-6-2)23(25)22(3)4/h22H,5-21H2,1-4H3 |
InChIKey |
COPXRFGDXZYEKS-UHFFFAOYSA-N |
Molecular Weight |
353.635 g/mol |
SMILES |
C(=O)(N(CCC)CCCCCCCCCCCCCCCC)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907777 |