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1-[2-(1-(trimethylsilyl)-2-bromo-4-tert-butylphenyl)ethynyl]-5-(tert-butyl)-3-[2-(diethylazido)phenylethynyl]benzene
SpectraBase Compound ID 1nasq6Flj79
InChI InChI=1S/C39H46BrN3Si/c1-12-43(13-2)42-41-35-16-14-15-29(26-35)17-18-30-23-31(25-33(24-30)38(3,4)5)19-20-32-27-34(39(6,7)8)28-37(40)36(32)21-22-44(9,10)11/h14-16,23-28H,12-13H2,1-11H3
InChIKey UMCVWFAGPVUFOO-UHFFFAOYSA-N
Mol Weight 664.8 g/mol
Molecular Formula C39H46BrN3Si
Exact Mass 663.264438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CF1Quveuy1G
Name 1-[2-(1-(trimethylsilyl)-2-bromo-4-tert-butylphenyl)ethynyl]-5-(tert-butyl)-3-[2-(diethylazido)phenylethynyl]benzene
Alternate Name(s) (1E)-1-(3-{[3-({3-bromo-5-tert-butyl-2-[(trimethylsilyl)ethynyl]phenyl}ethynyl)-5-tert-butylphenyl]ethynyl}phenyl)-3,3-diethyl-1-triazene
Comments Less than 3 mono-isotopic peaks
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Formula C39H46BrN3Si
InChI InChI=1S/C39H46BrN3Si/c1-12-43(13-2)42-41-35-16-14-15-29(26-35)17-18-30-23-31(25-33(24-30)38(3,4)5)19-20-32-27-34(39(6,7)8)28-37(40)36(32)21-22-44(9,10)11/h14-16,23-28H,12-13H2,1-11H3
InChIKey UMCVWFAGPVUFOO-UHFFFAOYSA-N
Molecular Weight 664.807 g/mol
SMILES C(c1c(C#Cc2cc(C(C)(C)C)cc(C#Cc3cc(N=NN(CC)CC)ccc3)c2)cc(cc1Br)C(C)(C)C)#C[Si](C)(C)C
SPLASH splash10-00di-9000002000-7526f7dec740188a04ed
Source of Spectrum C-117-10669-16
Wiley ID 759128