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2,6-bis(1,3-dioxo-2-isoindolyl)-4-methyl-4-nitroheptanedioic acid dimethyl ester
SpectraBase Compound ID CXpPGOdGl9e
InChI InChI=1S/C26H23N3O10/c1-26(29(36)37,12-18(24(34)38-2)27-20(30)14-8-4-5-9-15(14)21(27)31)13-19(25(35)39-3)28-22(32)16-10-6-7-11-17(16)23(28)33/h4-11,18-19H,12-13H2,1-3H3
InChIKey XHVBJVGOUYMBIZ-UHFFFAOYSA-N
Mol Weight 537.48 g/mol
Molecular Formula C26H23N3O10
Exact Mass 537.138344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwXWNOtSWLG
Name 2,6-bis(1,3-dioxo-2-isoindolyl)-4-methyl-4-nitroheptanedioic acid dimethyl ester
Alternate Name(s) 4-Methyl-4-nitro-2,6-diphthalimido-pimelic acid dimethyl ester Dimethyl 2,6-bis(1,3-dioxoisoindol-2-yl)-4-methyl-4-nitroheptanedioate Dimethyl 2,6-bis(1,3-dioxoisoindolin-2-yl)-4-methyl-4-nitro-heptanedioate Dimethyl 2,6-bis[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-4-nitro-heptanedioate
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Formula C26H23N3O10
InChI InChI=1S/C26H23N3O10/c1-26(29(36)37,12-18(24(34)38-2)27-20(30)14-8-4-5-9-15(14)21(27)31)13-19(25(35)39-3)28-22(32)16-10-6-7-11-17(16)23(28)33/h4-11,18-19H,12-13H2,1-3H3
InChIKey XHVBJVGOUYMBIZ-UHFFFAOYSA-N
Molecular Weight 537.481 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(CC(N(=O)=O)(CC(N1C(c2ccccc2C1=O)=O)C(=O)OC)C)C(=O)OC)=O
SPLASH splash10-0ue9-0590300000-9e8bda01e927ee3aec4e
Source of Spectrum KC-0-1118-12
Wiley ID 824671