(E)-1-(2-benzoxyphenyl)-3-[3-[(E)-3-(2-benzoxyphenyl)-3-keto-prop-1-enyl]phenyl]prop-2-en-1-one

SpectraBase Compound ID	8V8uQPTEACB
InChI	InChI=1S/C38H30O4/c39-35(33-18-7-9-20-37(33)41-27-31-12-3-1-4-13-31)24-22-29-16-11-17-30(26-29)23-25-36(40)34-19-8-10-21-38(34)42-28-32-14-5-2-6-15-32/h1-26H,27-28H2/b24-22+,25-23+
InChIKey	NMDPRHGCGBGNCN-BQASJOSNSA-N Google Search
Mol Weight	550.7 g/mol
Molecular Formula	C38H30O4
Exact Mass	550.214409 g/mol

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SpectraBase Spectrum ID	8Ep8Lgtqzch
Name	(E)-1-(2-Benzoxyphenyl)-3-[3-[(E)-3-(2-benzoxyphenyl)-3-keto-prop-1-enyl]phenyl]prop-2-en-1-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	550.214409442 u
Formula	C38H30O4
InChI	InChI=1S/C38H30O4/c39-35(33-18-7-9-20-37(33)41-27-31-12-3-1-4-13-31)24-22-29-16-11-17-30(26-29)23-25-36(40)34-19-8-10-21-38(34)42-28-32-14-5-2-6-15-32/h1-26H,27-28H2/b24-22+,25-23+
InChIKey	NMDPRHGCGBGNCN-BQASJOSNSA-N
Molecular Weight	550.654 g/mol
SMILES	C1(C(\C=C\C2=CC(\C=C\C(C=3C(OCC4=CC=CC=C4)=CC=CC3)=O)=CC=C2)=O)=C(OCC=2C=CC=CC2)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.909606