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5-Nitro-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
SpectraBase Compound ID 6xiFuPna9Ql
InChI InChI=1S/C28H31N7O6/c1-3-5-13-25(36)31-21-9-7-11-23(29-21)33-27(38)18-15-19(17-20(16-18)35(40)41)28(39)34-24-12-8-10-22(30-24)32-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,29,31,33,36,38)(H2,30,32,34,37,39)
InChIKey QAESASXHBRYZNS-UHFFFAOYSA-N
Mol Weight 561.6 g/mol
Molecular Formula C28H31N7O6
Exact Mass 561.233582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgG1F0w9joz
Name 5-Nitro-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
Alternate Name(s) 5-nitro-N1,N3-bis[6-(1-oxopentylamino)-2-pyridinyl]benzene-1,3-dicarboxamide 5-nitro-1-N,3-N-bis[6-(pentanoylamino)pyridin-2-yl]benzene-1,3-dicarboxamide 5-nitro-N1,N3-bis[6-(pentanoylamino)-2-pyridyl]benzene-1,3-dicarboxamide 5-nitro-N1,N3-bis[6-(pentanoylamino)pyridin-2-yl]benzene-1,3-dicarboxamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N7O6
InChI InChI=1S/C28H31N7O6/c1-3-5-13-25(36)31-21-9-7-11-23(29-21)33-27(38)18-15-19(17-20(16-18)35(40)41)28(39)34-24-12-8-10-22(30-24)32-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,29,31,33,36,38)(H2,30,32,34,37,39)
InChIKey QAESASXHBRYZNS-UHFFFAOYSA-N
Molecular Weight 561.599 g/mol
SMILES N(C(c1cc(cc(C(Nc2nc(ccc2)NC(=O)CCCC)=O)c1)N(=O)=O)=O)c1nc(ccc1)NC(=O)CCCC
SPLASH splash10-0udi-0000090000-bb58076094083e08a355
Source of Spectrum U1-2011-2071-1b
Wiley ID 1665230