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5-Iodo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
SpectraBase Compound ID 8GadKOpVGhG
InChI InChI=1S/C28H31IN6O4/c1-3-5-13-25(36)32-21-9-7-11-23(30-21)34-27(38)18-15-19(17-20(29)16-18)28(39)35-24-12-8-10-22(31-24)33-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,30,32,34,36,38)(H2,31,33,35,37,39)
InChIKey HMBLQFGHWOREHA-UHFFFAOYSA-N
Mol Weight 642.5 g/mol
Molecular Formula C28H31IN6O4
Exact Mass 642.145148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCrQkiukTcm
Name 5-Iodo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
Alternate Name(s) 5-iodo-N1,N3-bis[6-(1-oxopentylamino)-2-pyridinyl]benzene-1,3-dicarboxamide 5-iodo-1-N,3-N-bis[6-(pentanoylamino)pyridin-2-yl]benzene-1,3-dicarboxamide 5-iodo-N1,N3-bis[6-(pentanoylamino)-2-pyridyl]benzene-1,3-dicarboxamide 5-iodanyl-N1,N3-bis[6-(pentanoylamino)pyridin-2-yl]benzene-1,3-dicarboxamide
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Formula C28H31IN6O4
InChI InChI=1S/C28H31IN6O4/c1-3-5-13-25(36)32-21-9-7-11-23(30-21)34-27(38)18-15-19(17-20(29)16-18)28(39)35-24-12-8-10-22(31-24)33-26(37)14-6-4-2/h7-12,15-17H,3-6,13-14H2,1-2H3,(H2,30,32,34,36,38)(H2,31,33,35,37,39)
InChIKey HMBLQFGHWOREHA-UHFFFAOYSA-N
Molecular Weight 642.498 g/mol
SMILES N(C(c1cc(C(Nc2nc(ccc2)NC(=O)CCCC)=O)cc(c1)I)=O)c1nc(ccc1)NC(=O)CCCC
SPLASH splash10-0udr-0000089000-3fa1a462babb9613dfe4
Source of Spectrum U1-2011-2071-1a
Wiley ID 1665450