| SpectraBase Spectrum ID |
3185JXmsjYP |
| Name |
(E)-3-Morpholin-4-yl-1-(4-{3-[4-((E)-3-morpholin-4-yl-acryloyl)-phenoxy]-propoxy}-phenyl)-propenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.241686817 u |
| Formula |
C29H34N2O6 |
| InChI |
InChI=1S/C29H34N2O6/c32-28(10-12-30-14-20-34-21-15-30)24-2-6-26(7-3-24)36-18-1-19-37-27-8-4-25(5-9-27)29(33)11-13-31-16-22-35-23-17-31/h2-13H,1,14-23H2/b12-10+,13-11+ |
| InChIKey |
YRWQGPYKVYUGKX-DCIPZJNNSA-N |
| Molecular Weight |
506.599 g/mol |
| SMILES |
C1N(\C=C\C(C=2C=CC(=CC2)OCCCOC=2C=CC(C(\C=C\N3CCOCC3)=O)=CC2)=O)CCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936476 |