[6-Phenyl-3,4-bis(2-phenylethynyl)hex-3-en-1,5-diynyl]benzene

SpectraBase Compound ID	3pkVDyhSAOo
InChI	InChI=1S/C34H20/c1-5-13-29(14-6-1)21-25-33(26-22-30-15-7-2-8-16-30)34(27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H
InChIKey	MQGHXQIBUASUBV-UHFFFAOYSA-N Google Search
Mol Weight	428.5 g/mol
Molecular Formula	C34H20
Exact Mass	428.156501 g/mol

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SpectraBase Spectrum ID	DkQrPXjotxn
Name	[6-Phenyl-3,4-bis(2-phenylethynyl)hex-3-en-1,5-diynyl]benzene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	428.156500644 u
Formula	C34H20
InChI	InChI=1S/C34H20/c1-5-13-29(14-6-1)21-25-33(26-22-30-15-7-2-8-16-30)34(27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H
InChIKey	MQGHXQIBUASUBV-UHFFFAOYSA-N
Molecular Weight	428.534 g/mol
SMILES	C(C(C#CC=1C=CC=CC1)=C(C#CC=1C=CC=CC1)C#CC=1C=CC=CC1)#CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.884996