| SpectraBase Spectrum ID |
AFbPP1mItBu |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2-(1-methylethoxy)-3,6-di-4-morpholinyl-5-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.199822005 u |
| Formula |
C23H28N2O5 |
| InChI |
InChI=1S/C23H28N2O5/c1-16(2)30-23-20(25-10-14-29-15-11-25)21(26)18(17-6-4-3-5-7-17)19(22(23)27)24-8-12-28-13-9-24/h3-7,16H,8-15H2,1-2H3 |
| InChIKey |
JMPHCONKKZYMLA-UHFFFAOYSA-N |
| Molecular Weight |
412.486 g/mol |
| SMILES |
CC(C)OC1=C(N2CCOCC2)C(=O)C(=C(C1=O)N1CCOCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981808 |
