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4-Ethyl-5-nitro-2,6-bis(m-tolyl)cyclohexane-1,1,3,3-tetracarbonitrile
SpectraBase Compound ID E0oyJvAstBJ
InChI InChI=1S/C26H23N5O2/c1-4-21-23(31(32)33)22(19-9-5-7-17(2)11-19)26(15-29,16-30)24(25(21,13-27)14-28)20-10-6-8-18(3)12-20/h5-12,21-24H,4H2,1-3H3
InChIKey GOOPKDLCIXWTIK-UHFFFAOYSA-N
Mol Weight 437.5 g/mol
Molecular Formula C26H23N5O2
Exact Mass 437.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yJk2o7NIg6
Name 4-Ethyl-5-nitro-2,6-bis(m-tolyl)cyclohexane-1,1,3,3-tetracarbonitrile
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Formula C26H23N5O2
InChI InChI=1S/C26H23N5O2/c1-4-21-23(31(32)33)22(19-9-5-7-17(2)11-19)26(15-29,16-30)24(25(21,13-27)14-28)20-10-6-8-18(3)12-20/h5-12,21-24H,4H2,1-3H3
InChIKey GOOPKDLCIXWTIK-UHFFFAOYSA-N
Molecular Weight 437.503 g/mol
SMILES C1(C(C(N(=O)=O)C(C(C1c1cc(C)ccc1)(C#N)C#N)CC)c1cc(C)ccc1)(C#N)C#N
SPLASH splash10-066u-0900100000-84acc2e665e39d9a89ce
Source of Spectrum U1-2008-6172-3e
Wiley ID 1662337