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

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

[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
Mol Weight 428.5 g/mol
Molecular Formula C34H20
Exact Mass 428.156501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Bgz5xo0eNq
Name [6-Phenyl-3,4-bis(2-phenylethynyl)hex-3-en-1,5-diynyl]benzene
Comments Computed using HOSE algorithm
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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