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Methyl N-(benzyloxycarbonyl)-2-(bromodifluoromethyl)phenylalaninate
SpectraBase Compound ID EJuZiDRKztX
InChI InChI=1S/C19H18BrF2NO4/c1-26-17(24)16(11-14-9-5-6-10-15(14)19(20,21)22)23-18(25)27-12-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,23,25)/t16-/m0/s1
InChIKey VZKTVWRZVNLBFY-INIZCTEOSA-N
Mol Weight 442.26 g/mol
Molecular Formula C19H18BrF2NO4
Exact Mass 441.038727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UicSUP3yU4
Name Methyl N-(benzyloxycarbonyl)-2-(bromodifluoromethyl)phenylalaninate
Alternate Name(s) Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{2-[bromo(difluoro)methyl]phenyl}propanoate
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Formula C19H18BrF2NO4
InChI InChI=1S/C19H18BrF2NO4/c1-26-17(24)16(11-14-9-5-6-10-15(14)19(20,21)22)23-18(25)27-12-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,23,25)/t16-/m0/s1
InChIKey VZKTVWRZVNLBFY-INIZCTEOSA-N
Molecular Weight 442.257 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](Cc1c(C(F)(F)Br)cccc1)(C(=O)OC)[H]
SPLASH splash10-0006-9110000000-9d9b9364d5e662c067c3
Source of Spectrum J-61-7526-21
Wiley ID 1385006