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1,3,5-Trichloro-2,4,6-tris(4-nitrophenylethynyl)benzene
SpectraBase Compound ID JYaJ0NA5dBZ
InChI InChI=1S/C30H12Cl3N3O6/c31-28-25(16-7-19-1-10-22(11-2-19)34(37)38)29(32)27(18-9-21-5-14-24(15-6-21)36(41)42)30(33)26(28)17-8-20-3-12-23(13-4-20)35(39)40/h1-6,10-15H
InChIKey HHGIDGAKPQSENC-UHFFFAOYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C30H12Cl3N3O6
Exact Mass 614.979168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dwnaq8uuKYC
Name 1,3,5-Trichloro-2,4,6-tris(4-nitrophenylethynyl)benzene
Alternate Name(s) 1,3,5-tris(chloranyl)-2,4,6-tris[2-(4-nitrophenyl)ethynyl]benzene
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Formula C30H12Cl3N3O6
InChI InChI=1S/C30H12Cl3N3O6/c31-28-25(16-7-19-1-10-22(11-2-19)34(37)38)29(32)27(18-9-21-5-14-24(15-6-21)36(41)42)30(33)26(28)17-8-20-3-12-23(13-4-20)35(39)40/h1-6,10-15H
InChIKey HHGIDGAKPQSENC-UHFFFAOYSA-N
Molecular Weight 616.800 g/mol
SMILES c1(c(c(c(c(c1C#Cc1ccc(cc1)N(=O)=O)Cl)C#Cc1ccc(cc1)N(=O)=O)Cl)C#Cc1ccc(cc1)N(=O)=O)Cl
SPLASH splash10-014i-0000049000-dde5ce6558fa7ba73b3f
Source of Spectrum QF-10-1235-15
Wiley ID 1559341