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3,3-Bis(2-phenylethynyl)-1,5-diphenylpent-1,4-diyne

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

3,3-Bis(2-phenylethynyl)-1,5-diphenylpent-1,4-diyne
SpectraBase Compound ID 41IMBeF9bmD
InChI InChI=1S/C33H20/c1-5-13-29(14-6-1)21-25-33(26-22-30-15-7-2-8-16-30,27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H
InChIKey UFCQVARRRJROSZ-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C33H20
Exact Mass 416.156501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMHsWDXH60M
Name 3,3-bis(2-Phenylethynyl)-1,5-diphenylpent-1,4-diyne
Comments Computed using HOSE algorithm
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Exact Mass 416.156500644 u
Formula C33H20
InChI InChI=1S/C33H20/c1-5-13-29(14-6-1)21-25-33(26-22-30-15-7-2-8-16-30,27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H
InChIKey UFCQVARRRJROSZ-UHFFFAOYSA-N
Molecular Weight 416.523 g/mol
SMILES C(C#CC=1C=CC=CC1)(C#CC1=CC=CC=C1)(C#CC=1C=CC=CC1)C#CC=1C=CC=CC1