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3,5-Bis((4-(tert-butyl)phenyl)ethynyl)-2,6-diphenylpyridine
SpectraBase Compound ID IPdc1okLm8S
InChI InChI=1S/C41H37N/c1-40(2,3)36-25-19-30(20-26-36)17-23-34-29-35(24-18-31-21-27-37(28-22-31)41(4,5)6)39(33-15-11-8-12-16-33)42-38(34)32-13-9-7-10-14-32/h7-16,19-22,25-29H,1-6H3
InChIKey VATZYLOCZHWAOD-UHFFFAOYSA-N
Mol Weight 543.8 g/mol
Molecular Formula C41H37N
Exact Mass 543.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BffF6soxc7i
Name 3,5-Bis((4-(tert-butyl)phenyl)ethynyl)-2,6-diphenylpyridine
Appearance Llight yellow solid
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Formula C41H37N
InChI InChI=1S/C41H37N/c1-40(2,3)36-25-19-30(20-26-36)17-23-34-29-35(24-18-31-21-27-37(28-22-31)41(4,5)6)39(33-15-11-8-12-16-33)42-38(34)32-13-9-7-10-14-32/h7-16,19-22,25-29H,1-6H3
InChIKey VATZYLOCZHWAOD-UHFFFAOYSA-N
Instrument Name Agilent 6890/5973 or Agilent 7890/5977
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900034
Molecular Weight 543.754 g/mol
Reported Formula C41H37N
SMILES C(c1c(nc(c(C#Cc2ccc(cc2)C(C)(C)C)c1)-c1ccccc1)-c1ccccc1)#Cc1ccc(cc1)C(C)(C)C
SPLASH splash10-002f-0070090000-088d37a7365f65d4b52c
Source of Spectrum ASC-361-SM7-3c
Wiley ID 1837982