| SpectraBase Spectrum ID |
84b5piJ0CJ4 |
| Name |
Adipic acid, monoamide, N,N-diheptyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.324294246 u |
| Formula |
C22H43NO3 |
| InChI |
InChI=1S/C22H43NO3/c1-4-7-9-11-15-19-23(20-16-12-10-8-5-2)21(24)17-13-14-18-22(25)26-6-3/h4-20H2,1-3H3 |
| InChIKey |
NGXZCFOWPVTWJB-UHFFFAOYSA-N |
| Molecular Weight |
369.590 g/mol |
| SMILES |
C(=O)(CCCCC(OCC)=O)N(CCCCCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827537 |
