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1,1'-bis{3"-[(Hydroxyethoxy)methyl]phenyl]ethyny]phenyl]-ethynyl]
SpectraBase Compound ID H348iaDryfV
InChI InChI=1S/C38H30O4/c39-21-23-41-29-37-15-5-13-35(27-37)19-17-33-11-3-9-31(25-33)7-1-2-8-32-10-4-12-34(26-32)18-20-36-14-6-16-38(28-36)30-42-24-22-40/h3-6,9-16,25-28,39-40H,21-24,29-30H2
InChIKey HVGUAGUWKFRNQO-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C38H30O4
Exact Mass 550.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJ0bZcO3iIS
Name 1,1'-bis{3"-[(Hydroxyethoxy)methyl]phenyl]ethyny]phenyl]-ethynyl]
Alternate Name(s) 2-{3'-[(3''-[4'''-[3-([3-(2-Hydroxyethoxy)methylphenyl]ethynyl)phenyl]buta-1',3'-diynyl)phenyl)ethynyl]benzyloxy}-ethanol
Comments Less than 3 mono-isotopic peaks
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Formula C38H30O4
InChI InChI=1S/C38H30O4/c39-21-23-41-29-37-15-5-13-35(27-37)19-17-33-11-3-9-31(25-33)7-1-2-8-32-10-4-12-34(26-32)18-20-36-14-6-16-38(28-36)30-42-24-22-40/h3-6,9-16,25-28,39-40H,21-24,29-30H2
InChIKey HVGUAGUWKFRNQO-UHFFFAOYSA-N
Molecular Weight 550.654 g/mol
SMILES OCCOCc1cc(C#Cc2cc(C#CC#Cc3cc(C#Cc4cc(COCCO)ccc4)ccc3)ccc2)ccc1
SPLASH splash10-0udi-0000390000-e206fbe36b81aeca4471
Source of Spectrum H-92-727-8
Wiley ID 1693798