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(2R,3R)-3-Bromo-N-phthaloylphenylalanine tert-butyl ester
SpectraBase Compound ID 5FhK6vzoIqZ
InChI InChI=1S/C21H20BrNO4/c1-21(2,3)27-20(26)17(16(22)13-9-5-4-6-10-13)23-18(24)14-11-7-8-12-15(14)19(23)25/h4-12,16-17H,1-3H3/t16-,17+/m1/s1
InChIKey HRYPTYSKKKZUCC-SJORKVTESA-N
Mol Weight 430.3 g/mol
Molecular Formula C21H20BrNO4
Exact Mass 429.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3qrXaL7Vh2
Name (2R,3R)-3-Bromo-N-phthaloylphenylalanine tert-butyl ester
Alternate Name(s) tert-Butyl (2R,3R)-3-bromo-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoate
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Formula C21H20BrNO4
InChI InChI=1S/C21H20BrNO4/c1-21(2,3)27-20(26)17(16(22)13-9-5-4-6-10-13)23-18(24)14-11-7-8-12-15(14)19(23)25/h4-12,16-17H,1-3H3/t16-,17+/m1/s1
InChIKey HRYPTYSKKKZUCC-SJORKVTESA-N
Molecular Weight 430.298 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@](C(OC(C)(C)C)=O)([C@@](c1ccccc1)(Br)[H])[H])=O
SPLASH splash10-0k92-4291000000-b1e647f2a8ae86790b2e
Source of Spectrum F-50-7335-6
Wiley ID 1381132