| SpectraBase Spectrum ID |
JPdQwdzLhPD |
| Name |
22,25,30,33-Tetraoxa-1,19-diazatetracyclo[17.8.8.25,8.212,15]nonatri aconta-3,5,7,12,14,16,36,38-octaene-2,18-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.304287074 u |
| Formula |
C33H42N2O6 |
| InChI |
InChI=1S/C33H42N2O6/c36-32-14-12-30-8-4-28(5-9-30)2-1-3-29-6-10-31(11-7-29)13-15-33(37)35-18-22-40-26-24-38-20-16-34(32)17-21-39-25-27-41-23-19-35/h4-15H,1-3,16-27H2/b14-12-,15-13- |
| InChIKey |
YZFPJFYXLZUPCG-DZDAAMPGSA-N |
| Molecular Weight |
562.707 g/mol |
| SMILES |
C1(N2CCOCCOCCN(C(\C=C/C=3C=CC(CCCC4=CC=C(\C=C/1)C=C4)=CC3)=O)CCOCCOCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854513 |
![22,25,30,33-Tetraoxa-1,19-diazatetracyclo[17.8.8.25,8.212,15]nonatri aconta-3,5,7,12,14,16,36,38-octaene-2,18-dione](/api/spectrum/JPdQwdzLhPD/structure.png?h=300&w=458 "22,25,30,33-Tetraoxa-1,19-diazatetracyclo[17.8.8.25,8.212,15]nonatri aconta-3,5,7,12,14,16,36,38-octaene-2,18-dione")
