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1-N,3-N-bis[2-(2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
SpectraBase Compound ID 3sE1UzznnYD
InChI InChI=1S/C26H27N3O6/c1-18-7-3-5-9-23(18)34-13-11-27-25(30)20-15-21(17-22(16-20)29(32)33)26(31)28-12-14-35-24-10-6-4-8-19(24)2/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)(H,28,31)
InChIKey IUWLUVFICLIMEA-UHFFFAOYSA-N
Mol Weight 477.52 g/mol
Molecular Formula C26H27N3O6
Exact Mass 477.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84MKoM02MI1
Name 1-N,3-N-bis[2-(2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
Alternate Name(s) N,N'-bis[2-(2-methylphenoxy)ethyl]-5-nitro-isophthalamide N1,N3-bis[2-(2-methylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O6
InChI InChI=1S/C26H27N3O6/c1-18-7-3-5-9-23(18)34-13-11-27-25(30)20-15-21(17-22(16-20)29(32)33)26(31)28-12-14-35-24-10-6-4-8-19(24)2/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)(H,28,31)
InChIKey IUWLUVFICLIMEA-UHFFFAOYSA-N
Molecular Weight 477.517 g/mol
SMILES N(C(c1cc(cc(C(=O)NCCOc2c(C)cccc2)c1)N(=O)=O)=O)CCOc1c(C)cccc1
SPLASH splash10-0229-5964000000-8fdda5a2d021919a312a
Wiley ID 1461062