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(2S,3S)-4-bromo-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid methyl ester
SpectraBase Compound ID I1BbRDYJFnu
InChI InChI=1S/C14H14BrNO4/c1-8(7-15)11(14(19)20-2)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-6,8,11H,7H2,1-2H3/t8-,11+/m1/s1
InChIKey KDXMJHZXWCPHBE-KCJUWKMLSA-N
Mol Weight 340.17 g/mol
Molecular Formula C14H14BrNO4
Exact Mass 339.010621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiCGTZNqn22
Name (2S,3S)-4-bromo-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid methyl ester
Alternate Name(s) (2S,3S)-4-bromo-3-methyl-2-phthalimido-butyric acid methyl ester Methyl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-bromanyl-3-methyl-butanoate Methyl (2S,3S)-4-bromo-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Methyl (2S,3S)-4-bromo-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate
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Formula C14H14BrNO4
InChI InChI=1S/C14H14BrNO4/c1-8(7-15)11(14(19)20-2)16-12(17)9-5-3-4-6-10(9)13(16)18/h3-6,8,11H,7H2,1-2H3/t8-,11+/m1/s1
InChIKey KDXMJHZXWCPHBE-KCJUWKMLSA-N
Molecular Weight 340.173 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(=O)OC)([C@@](CBr)(C)[H])[H])=O
SPLASH splash10-0uxt-0490000000-89217cbf06d4ed1c7327
Source of Spectrum F-53-1154-7
Wiley ID 800147