SpectraBase Spectrum ID |
5kzPaQtx4sO |
Name |
15,18,23,26-Tetraoxa-2,11-dioxo-1,12-diazabicyclo[10.8.8]-octacosane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
428.288637010 u |
Formula |
C22H40N2O6 |
InChI |
InChI=1S/C22H40N2O6/c25-21-7-5-3-1-2-4-6-8-22(26)24-11-15-29-19-17-27-13-9-23(21)10-14-28-18-20-30-16-12-24/h1-20H2 |
InChIKey |
UULPMUBZSUJMQF-UHFFFAOYSA-N |
Molecular Weight |
428.570 g/mol |
SMILES |
C1(N2CCOCCOCCN(C(CCCCCCCC1)=O)CCOCCOCC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926039 |