| SpectraBase Spectrum ID |
LrAQm7cCmXz |
| Name |
3,17-Diethyl-1,15-dioxa-4,18-diazacyclooctacosane-5,14,19,28-diquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.366887332 u |
| Formula |
C28H50N2O6 |
| InChI |
InChI=1S/C28H50N2O6/c1-3-23-21-35-27(33)19-15-11-8-6-10-14-18-26(32)30-24(4-2)22-36-28(34)20-16-12-7-5-9-13-17-25(31)29-23/h23-24H,3-22H2,1-2H3,(H,29,31)(H,30,32) |
| InChIKey |
XWQJJRGSRYIGHY-UHFFFAOYSA-N |
| Molecular Weight |
510.716 g/mol |
| SMILES |
C1(NC(COC(CCCCCCCCC(NC(COC(CCCCCCCC1)=O)CC)=O)=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9501 |
