| SpectraBase Spectrum ID |
DuvWzrjrXdt |
| Name |
Adipic acid, monoamide, N,N-diheptyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.386894503 u |
| Formula |
C26H51NO3 |
| InChI |
InChI=1S/C26H51NO3/c1-4-7-10-13-17-22-27(23-18-14-11-8-5-2)25(28)20-15-16-21-26(29)30-24-19-12-9-6-3/h4-24H2,1-3H3 |
| InChIKey |
JZGATHCMQYQVTF-UHFFFAOYSA-N |
| Molecular Weight |
425.698 g/mol |
| SMILES |
C(CCCN(C(=O)CCCCC(OCCCCCC)=O)CCCCCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925393 |
