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(2S,4R)-2-(1,3-dioxo-2-isoindolyl)-4-nitropentanoic acid methyl ester
SpectraBase Compound ID 4aVOPbVTLH
InChI InChI=1S/C14H14N2O6/c1-8(16(20)21)7-11(14(19)22-2)15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6,8,11H,7H2,1-2H3/t8-,11+/m1/s1
InChIKey QWQDNTSDCCTIHV-KCJUWKMLSA-N
Mol Weight 306.27 g/mol
Molecular Formula C14H14N2O6
Exact Mass 306.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALfeS3QkxOe
Name (2S,4R)-2-(1,3-dioxo-2-isoindolyl)-4-nitropentanoic acid methyl ester
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Formula C14H14N2O6
InChI InChI=1S/C14H14N2O6/c1-8(16(20)21)7-11(14(19)22-2)15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6,8,11H,7H2,1-2H3/t8-,11+/m1/s1
InChIKey QWQDNTSDCCTIHV-KCJUWKMLSA-N
Molecular Weight 306.274 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@@](C[C@](N(=O)=O)(C)[H])(C(=O)OC)[H])=O
SPLASH splash10-0ue9-7490000000-3ff44aa461b4d0b4ee4c
Source of Spectrum KC-0-1118-11
Synonyms (2S,4R)-4-nitro-2-phthalimido-valeric acid methyl ester Methyl (2S,4R)-2-(1,3-dioxoisoindol-2-yl)-4-nitropentanoate Methyl (2S,4R)-2-(1,3-dioxoisoindolin-2-yl)-4-nitro-pentanoate Methyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-nitro-pentanoate
Wiley ID 824672