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(2S)-4-(2-bromophenyl)-2-(tert-butoxycarbonylamino)butyric acid benzyl ester
SpectraBase Compound ID AILXmvuvARS
InChI InChI=1S/C22H26BrNO4/c1-22(2,3)28-21(26)24-19(14-13-17-11-7-8-12-18(17)23)20(25)27-15-16-9-5-4-6-10-16/h4-12,19H,13-15H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKey KWXQYLHTHPVJFH-IBGZPJMESA-N
Mol Weight 448.36 g/mol
Molecular Formula C22H26BrNO4
Exact Mass 447.104521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PAYKvr4CjO
Name (2S)-4-(2-bromophenyl)-2-(tert-butoxycarbonylamino)butyric acid benzyl ester
Alternate Name(s) (2S)-4-(2-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-4-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate benzyl (2S)-4-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Formula C22H26BrNO4
InChI InChI=1S/C22H26BrNO4/c1-22(2,3)28-21(26)24-19(14-13-17-11-7-8-12-18(17)23)20(25)27-15-16-9-5-4-6-10-16/h4-12,19H,13-15H2,1-3H3,(H,24,26)/t19-/m0/s1
InChIKey KWXQYLHTHPVJFH-IBGZPJMESA-N
Molecular Weight 448.357 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCc1c(Br)cccc1)[H]
SPLASH splash10-052f-9110000000-2f69eade402ffda55a89
Source of Spectrum K-2002-735-3
Wiley ID 1581016