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(2S,3S)-3-Bromo-N-phthaloyl-p-nitrophenylalanine methyl ester
SpectraBase Compound ID 1D4gB8JLwMX
InChI InChI=1S/C18H13BrN2O6/c1-27-18(24)15(14(19)10-6-8-11(9-7-10)21(25)26)20-16(22)12-4-2-3-5-13(12)17(20)23/h2-9,14-15H,1H3/t14-,15+/m0/s1
InChIKey CEQIEDAGBPSOBL-LSDHHAIUSA-N
Mol Weight 433.21 g/mol
Molecular Formula C18H13BrN2O6
Exact Mass 431.995699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kcy8kbdcFFE
Name (2S,3S)-3-Bromo-N-phthaloyl-p-nitrophenylalanine methyl ester
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Formula C18H13BrN2O6
InChI InChI=1S/C18H13BrN2O6/c1-27-18(24)15(14(19)10-6-8-11(9-7-10)21(25)26)20-16(22)12-4-2-3-5-13(12)17(20)23/h2-9,14-15H,1H3/t14-,15+/m0/s1
InChIKey CEQIEDAGBPSOBL-LSDHHAIUSA-N
Molecular Weight 433.214 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@@](C(=O)OC)([C@](c1ccc(N(=O)=O)cc1)(Br)[H])[H])=O
SPLASH splash10-014l-1491000000-0ea1d788f8dcc39c45d8
Source of Spectrum F-52-7031-3
Synonyms Methyl (2S,3S)-3-bromo-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(4-nitrophenyl)propanoate
Wiley ID 796704