| SpectraBase Spectrum ID |
ECH3HiFNYmi |
| Name |
Adipic acid, monoamide, N,N-diheptyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.418194632 u |
| Formula |
C28H55NO3 |
| InChI |
InChI=1S/C28H55NO3/c1-4-7-10-13-16-21-26-32-28(31)23-18-17-22-27(30)29(24-19-14-11-8-5-2)25-20-15-12-9-6-3/h4-26H2,1-3H3 |
| InChIKey |
VVFANMJUVXWPNZ-UHFFFAOYSA-N |
| Molecular Weight |
453.752 g/mol |
| SMILES |
C(CCN(C(=O)CCCCC(OCCCCCCCC)=O)CCCCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973874 |
