1,1-Diphenyl-4,5-bis(p-hexyloxyphenyl)penta-1,4-diene

SpectraBase Compound ID	97JlTyHCuNs
InChI	InChI=1S/C41H48O2/c1-3-5-7-15-31-42-39-26-21-34(22-27-39)33-38(35-23-28-40(29-24-35)43-32-16-8-6-4-2)25-30-41(36-17-11-9-12-18-36)37-19-13-10-14-20-37/h9-14,17-24,26-30,33H,3-8,15-16,25,31-32H2,1-2H3/b38-33-
InChIKey	WTYHEHFZYUQYFE-GUPKEBGXSA-N Google Search
Mol Weight	572.8 g/mol
Molecular Formula	C41H48O2
Exact Mass	572.365431 g/mol

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SpectraBase Spectrum ID	42t3nAtPpbl
Name	1,1-Diphenyl-4,5-bis(p-hexyloxyphenyl)penta-1,4-diene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	572.365430784 u
Formula	C41H48O2
InChI	InChI=1S/C41H48O2/c1-3-5-7-15-31-42-39-26-21-34(22-27-39)33-38(35-23-28-40(29-24-35)43-32-16-8-6-4-2)25-30-41(36-17-11-9-12-18-36)37-19-13-10-14-20-37/h9-14,17-24,26-30,33H,3-8,15-16,25,31-32H2,1-2H3/b38-33-
InChIKey	WTYHEHFZYUQYFE-GUPKEBGXSA-N
Molecular Weight	572.833 g/mol
SMILES	C(=CC\C(=C\C=1C=CC(=CC1)OCCCCCC)C=1C=CC(=CC1)OCCCCCC)(C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.906419