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(4S)-Methyl 4-(Benzyloxy)-3-bromo-2-(N-benzoylamino)-2(Z)-pentenoate
SpectraBase Compound ID 67KRc6F8taM
InChI InChI=1S/C20H20BrNO4/c1-14(26-13-15-9-5-3-6-10-15)17(21)18(20(24)25-2)22-19(23)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,22,23)/b18-17-/t14-/m0/s1
InChIKey OPZJAXQSLBIXDJ-DNZUHHBVSA-N
Mol Weight 418.29 g/mol
Molecular Formula C20H20BrNO4
Exact Mass 417.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kxc1dPouz0g
Name (4S)-Methyl 4-(Benzyloxy)-3-bromo-2-(N-benzoylamino)-2(Z)-pentenoate
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Formula C20H20BrNO4
InChI InChI=1S/C20H20BrNO4/c1-14(26-13-15-9-5-3-6-10-15)17(21)18(20(24)25-2)22-19(23)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,22,23)/b18-17-/t14-/m0/s1
InChIKey OPZJAXQSLBIXDJ-DNZUHHBVSA-N
Molecular Weight 418.287 g/mol
SMILES N(\C(=C\([C@@](OCc1ccccc1)(C)[H])Br)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0a7l-9741000000-7e666168f90a5cab2315
Source of Spectrum J-58-4460-8
Synonyms Methyl (2Z,4S)-2-(benzoylamino)-4-(benzyloxy)-3-bromo-2-pentenoate
Wiley ID 1376793