| SpectraBase Spectrum ID |
J8kVxCr5EZX |
| Name |
Glutaric acid, monoamide, N-(2-octyl)-, dodecyl 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/c1-4-6-8-10-11-12-13-14-15-17-22-29-25(28)21-18-20-24(27)26-23(3)19-16-9-7-5-2/h23H,4-22H2,1-3H3,(H,26,27) |
| InChIKey |
MAOSYGNYMHKQEW-UHFFFAOYSA-N |
| Molecular Weight |
411.671 g/mol |
| SMILES |
CC(NC(CCCC(OCCCCCCCCCCCC)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965579 |
