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2-(1,3-dioxo-2-isoindolyl)-4-nitrobutanoic acid methyl ester
SpectraBase Compound ID Lb0zmt3kZO0
InChI InChI=1S/C13H12N2O6/c1-21-13(18)10(6-7-14(19)20)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKey YORAYKFTAJZIDZ-JTQLQIEISA-N
Mol Weight 292.25 g/mol
Molecular Formula C13H12N2O6
Exact Mass 292.069536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaZAP0HrGs4
Name 2-(1,3-dioxo-2-isoindolyl)-4-nitrobutanoic acid methyl ester
Alternate Name(s) 4-Nitro-2-phthalimido-butyric acid methyl ester Methyl 2-(1,3-dioxoisoindol-2-yl)-4-nitrobutanoate Methyl 2-(1,3-dioxoisoindolin-2-yl)-4-nitro-butanoate Methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-nitro-butanoate
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Formula C13H12N2O6
InChI InChI=1S/C13H12N2O6/c1-21-13(18)10(6-7-14(19)20)15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,10H,6-7H2,1H3/t10-/m0/s1
InChIKey YORAYKFTAJZIDZ-JTQLQIEISA-N
Molecular Weight 292.247 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(=O)OC)(CCN(=O)=O)[H])=O
SPLASH splash10-000i-0930000000-248253ba6b327e7ad1dd
Source of Spectrum KC-0-1117-8
Wiley ID 824676