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(2S)-4-bromo-2-[(1R)-1-methoxy-3-oxo-1H-isoindol-2-yl]-4-methylpentanoic acid methyl ester
SpectraBase Compound ID KWWJESJO47k
InChI InChI=1S/C16H20BrNO4/c1-16(2,17)9-12(15(20)22-4)18-13(19)10-7-5-6-8-11(10)14(18)21-3/h5-8,12,14H,9H2,1-4H3/t12-,14+/m0/s1
InChIKey IBIWFEGOYBJZIF-GXTWGEPZSA-N
Mol Weight 370.24 g/mol
Molecular Formula C16H20BrNO4
Exact Mass 369.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Xt8asRa3a6
Name (2S)-4-bromo-2-[(1R)-1-methoxy-3-oxo-1H-isoindol-2-yl]-4-methylpentanoic acid methyl ester
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Formula C16H20BrNO4
InChI InChI=1S/C16H20BrNO4/c1-16(2,17)9-12(15(20)22-4)18-13(19)10-7-5-6-8-11(10)14(18)21-3/h5-8,12,14H,9H2,1-4H3/t12-,14+/m0/s1
InChIKey IBIWFEGOYBJZIF-GXTWGEPZSA-N
Molecular Weight 370.243 g/mol
SMILES C1(N([C@@](c2ccccc12)(OC)[H])[C@](C(=O)OC)(CC(Br)(C)C)[H])=O
SPLASH splash10-03e9-0779000000-bcf44ae42fe7f40a25ae
Source of Spectrum KC-0-3727-10
Synonyms (2S)-4-bromo-2-[(3R)-1-keto-3-methoxy-isoindolin-2-yl]-4-methyl-valeric acid methyl ester Methyl (2S)-4-bromanyl-2-[(1R)-1-methoxy-3-oxidanylidene-1H-isoindol-2-yl]-4-methyl-pentanoate Methyl (2S)-4-bromo-2-[(1R)-1-methoxy-3-oxo-1H-isoindol-2-yl]-4-methylpentanoate Methyl (2S)-4-bromo-2-[(1R)-1-methoxy-3-oxo-isoindolin-2-yl]-4-methyl-pentanoate
Wiley ID 826943