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(E)-3-Morpholin-4-yl-1-(4-{3-[4-((E)-3-morpholin-4-yl-acryloyl)-phenoxy]-propoxy}-phenyl)-propenone
SpectraBase Compound ID 6mtJz3Rejit
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
Mol Weight 506.6 g/mol
Molecular Formula C29H34N2O6
Exact Mass 506.241687 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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