SpectraBase Spectrum ID |
9HonW2MMZnu |
Name |
Glutaric acid, monoamide, N-dodecyl-, octyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
411.371244439 u |
Formula |
C25H49NO3 |
InChI |
InChI=1S/C25H49NO3/c1-3-5-7-9-11-12-13-14-15-17-22-26-24(27)20-19-21-25(28)29-23-18-16-10-8-6-4-2/h3-23H2,1-2H3,(H,26,27) |
InChIKey |
BSJFZYRWLRLNKC-UHFFFAOYSA-N |
Molecular Weight |
411.671 g/mol |
SMILES |
CCCCCCCCOC(CCCC(NCCCCCCCCCCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945025 |