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4-Butyl-2,6-diphenyl-5-nitrocyclohexane-1,1,3,3-tetracarboxanitrile
SpectraBase Compound ID JvrMM3KbukK
InChI InChI=1S/C26H23N5O2/c1-2-3-14-21-23(31(32)33)22(19-10-6-4-7-11-19)26(17-29,18-30)24(25(21,15-27)16-28)20-12-8-5-9-13-20/h4-13,21-24H,2-3,14H2,1H3
InChIKey NPJJNRJLNSOUEL-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 HZfy9EAwsBL
Name 4-Butyl-2,6-diphenyl-5-nitrocyclohexane-1,1,3,3-tetracarboxanitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N5O2
InChI InChI=1S/C26H23N5O2/c1-2-3-14-21-23(31(32)33)22(19-10-6-4-7-11-19)26(17-29,18-30)24(25(21,15-27)16-28)20-12-8-5-9-13-20/h4-13,21-24H,2-3,14H2,1H3
InChIKey NPJJNRJLNSOUEL-UHFFFAOYSA-N
Molecular Weight 437.503 g/mol
SMILES C1(C(C(N(=O)=O)C(C(C1c1ccccc1)(C#N)C#N)CCCC)c1ccccc1)(C#N)C#N
SPLASH splash10-0ufr-1900000000-abe37420a6d02772bc2f
Source of Spectrum U1-2008-6172-3k
Wiley ID 1662331