| SpectraBase Spectrum ID |
3YX4hx9suRk |
| Name |
Glutaric acid, monoamide, N-(2-octyl)-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.402544568 u |
| Formula |
C27H53NO3 |
| InChI |
InChI=1S/C27H53NO3/c1-4-6-8-10-11-12-13-14-15-16-17-19-24-31-27(30)23-20-22-26(29)28-25(3)21-18-9-7-5-2/h25H,4-24H2,1-3H3,(H,28,29) |
| InChIKey |
DFNJRMTUBPRYCT-UHFFFAOYSA-N |
| Molecular Weight |
439.725 g/mol |
| SMILES |
CC(NC(CCCC(OCCCCCCCCCCCCCC)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949483 |
