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(2R,3S)-N-Benzyl-3-bromo-2-methyl-2-benzoyloxy-butyric acid amide
SpectraBase Compound ID 9zeQXZhszhh
InChI InChI=1S/C19H20BrNO3/c1-14(20)19(2,24-17(22)16-11-7-4-8-12-16)18(23)21-13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,21,23)/t14-,19-/m0/s1
InChIKey ZLOWITKYSWZSMB-LIRRHRJNSA-N
Mol Weight 390.28 g/mol
Molecular Formula C19H20BrNO3
Exact Mass 389.062657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mlErkYyz4x
Name (2R,3S)-N-Benzyl-3-bromo-2-methyl-2-benzoyloxy-butyric acid amide
Appearance Colorless solid
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Formula C19H20BrNO3
InChI InChI=1S/C19H20BrNO3/c1-14(20)19(2,24-17(22)16-11-7-4-8-12-16)18(23)21-13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,21,23)/t14-,19-/m0/s1
InChIKey ZLOWITKYSWZSMB-LIRRHRJNSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405888
Molecular Weight 390.277 g/mol
Quality 43
Reported Formula C19H20O3NBr
SMILES N(CC1=CC=CC=C1)C([C@@]([C@](C)(Br)[H])(C)OC(C1=CC=CC=C1)=O)=O
SPLASH splash10-000i-0900000000-2bd8da9018d5e97c7439
Sample Comments dr >95:5
Source of Spectrum QE-21-SM28-7o (DOI: 10.1002/chem.201405888)
Thin-Layer Chromatography 0.36 (hexane/EtOAc, 6:4)
Wiley ID 1907054