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2-(benzyloxycarbonylamino)-3-bromo-3,3-difluoro-2-phenyl-propionic acid methyl ester
SpectraBase Compound ID 5BHfiA9OCIY
InChI InChI=1S/C18H16BrF2NO4/c1-25-15(23)17(18(19,20)21,14-10-6-3-7-11-14)22-16(24)26-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,22,24)
InChIKey MYJLVENICWYROH-UHFFFAOYSA-N
Mol Weight 428.23 g/mol
Molecular Formula C18H16BrF2NO4
Exact Mass 427.023077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QDcW1w2IXz
Name 2-(benzyloxycarbonylamino)-3-bromo-3,3-difluoro-2-phenyl-propionic acid methyl ester
Alternate Name(s) 3-Bromo-3,3-difluoro-2-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl 3-bromanyl-3,3-bis(fluoranyl)-2-phenyl-2-(phenylmethoxycarbonylamino)propanoate Methyl 3-bromo-3,3-difluoro-2-phenyl-2-(phenylmethoxycarbonylamino)propanoate
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Formula C18H16BrF2NO4
InChI InChI=1S/C18H16BrF2NO4/c1-25-15(23)17(18(19,20)21,14-10-6-3-7-11-14)22-16(24)26-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,22,24)
InChIKey MYJLVENICWYROH-UHFFFAOYSA-N
Molecular Weight 428.230 g/mol
SMILES N(C(C(F)(F)Br)(C(=O)OC)c1ccccc1)C(=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-35982bc63711867866e9
Source of Spectrum J-61-7526-21
Wiley ID 1380328