| SpectraBase Spectrum ID |
47i18H7h3cW |
| Name |
Adipic acid, monoamide, N,N-di(2-ethylhexyl)-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.465144825 u |
| Formula |
C31H61NO3 |
| InChI |
InChI=1S/C31H61NO3/c1-6-11-14-15-16-17-20-25-35-31(34)24-19-18-23-30(33)32(26-28(9-4)21-12-7-2)27-29(10-5)22-13-8-3/h28-29H,6-27H2,1-5H3 |
| InChIKey |
FKDBKPZCWFYWTH-UHFFFAOYSA-N |
| Molecular Weight |
495.833 g/mol |
| SMILES |
C(CCC(=O)N(CC(CC)CCCC)CC(CCCC)CC)CC(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97713 |
