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4-Ethyl-5-nitro-2,6-bis(4-methoxyphenyl)cyclohexane-1,1,3,3-tetracarbonitrile
SpectraBase Compound ID 4YfK5yS9YoA
InChI InChI=1S/C26H23N5O4/c1-4-21-23(31(32)33)22(17-5-9-19(34-2)10-6-17)26(15-29,16-30)24(25(21,13-27)14-28)18-7-11-20(35-3)12-8-18/h5-12,21-24H,4H2,1-3H3
InChIKey IKHONTWJLIAGFW-UHFFFAOYSA-N
Mol Weight 469.5 g/mol
Molecular Formula C26H23N5O4
Exact Mass 469.175004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GF1inT6F9c
Name 4-Ethyl-5-nitro-2,6-bis(4-methoxyphenyl)cyclohexane-1,1,3,3-tetracarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N5O4
InChI InChI=1S/C26H23N5O4/c1-4-21-23(31(32)33)22(17-5-9-19(34-2)10-6-17)26(15-29,16-30)24(25(21,13-27)14-28)18-7-11-20(35-3)12-8-18/h5-12,21-24H,4H2,1-3H3
InChIKey IKHONTWJLIAGFW-UHFFFAOYSA-N
Molecular Weight 469.501 g/mol
SMILES C1(C(C(N(=O)=O)C(C(C1c1ccc(cc1)OC)(C#N)C#N)CC)c1ccc(cc1)OC)(C#N)C#N
SPLASH splash10-001i-0900000000-129593aa9c6b7967734f
Source of Spectrum U1-2008-6172-3g
Wiley ID 1662335