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3-Bromo-2-(tert-butoxycarbonylamino)-3,3-difluoro-2-hydroxy-propionic acid methyl ester
SpectraBase Compound ID IIJcAGgJH4V
InChI InChI=1S/C9H14BrF2NO5/c1-7(2,3)18-6(15)13-8(16,5(14)17-4)9(10,11)12/h16H,1-4H3,(H,13,15)
InChIKey UNHAWFNGPGGCDT-UHFFFAOYSA-N
Mol Weight 334.11 g/mol
Molecular Formula C9H14BrF2NO5
Exact Mass 333.002342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUqw1hWcQyw
Name 3-Bromo-2-(tert-butoxycarbonylamino)-3,3-difluoro-2-hydroxy-propionic acid methyl ester
Alternate Name(s) 3-Bromo-3,3-difluoro-2-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester Methyl 3-bromanyl-3,3-bis(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propanoate Methyl 3-bromo-3,3-difluoro-2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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Formula C9H14BrF2NO5
InChI InChI=1S/C9H14BrF2NO5/c1-7(2,3)18-6(15)13-8(16,5(14)17-4)9(10,11)12/h16H,1-4H3,(H,13,15)
InChIKey UNHAWFNGPGGCDT-UHFFFAOYSA-N
Molecular Weight 334.114 g/mol
SMILES N(C(C(F)(F)Br)(C(=O)OC)O)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9020000000-58e2b080173de8582078
Source of Spectrum J-61-7526-14
Wiley ID 1330022