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1-Nitro-4-[2-[2-[2-(4-nitrophenyl)ethynyl]-1-cyclohexenyl]ethynyl]benzene
SpectraBase Compound ID A6RnhCW7o1N
InChI InChI=1S/C22H16N2O4/c25-23(26)21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(16-10-18)24(27)28/h7-10,13-16H,1-4H2
InChIKey NZHFPQASRCJAER-UHFFFAOYSA-N
Mol Weight 372.38 g/mol
Molecular Formula C22H16N2O4
Exact Mass 372.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SdLX8RORmY
Name 1-Nitro-4-[2-[2-[2-(4-nitrophenyl)ethynyl]-1-cyclohexenyl]ethynyl]benzene
Alternate Name(s) 1-Nitro-4-[2-[2-[2-(4-nitrophenyl)ethynyl]cyclohexen-1-yl]ethynyl]benzene
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Formula C22H16N2O4
InChI InChI=1S/C22H16N2O4/c25-23(26)21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(16-10-18)24(27)28/h7-10,13-16H,1-4H2
InChIKey NZHFPQASRCJAER-UHFFFAOYSA-N
Molecular Weight 372.380 g/mol
SMILES c1(N(=O)=O)ccc(C#CC2=C(C#Cc3ccc(N(=O)=O)cc3)CCCC2)cc1
SPLASH splash10-0fk9-0489000000-88b29134340b0cc75242
Source of Spectrum U-1997-1397-3
Wiley ID 770007