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(2S,3R,.alpha.R)-Methyl 3-[N-(.alpha.-methylbenzyl)amino]-2-methylbutanoate

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(2S,3R,.alpha.R)-Methyl 3-[N-(.alpha.-methylbenzyl)amino]-2-methylbutanoate
SpectraBase Compound ID Fy04xBNztcy
InChI InChI=1S/C14H21NO2/c1-10(14(16)17-4)11(2)15-12(3)13-8-6-5-7-9-13/h5-12,15H,1-4H3/t10-,11+,12?/m0/s1
InChIKey OQPBQDUDSLMRBW-WIKAKEFZSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvnWP5O2tpv
Name (2S,3R,.alpha.R)-Methyl 3-[N-(.alpha.-methylbenzyl)amino]-2-methylbutanoate
Comments Computed using HOSE algorithm
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Exact Mass 235.157228918 u
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-10(14(16)17-4)11(2)15-12(3)13-8-6-5-7-9-13/h5-12,15H,1-4H3/t10-,11+,12?/m0/s1
InChIKey OQPBQDUDSLMRBW-WIKAKEFZSA-N
Molecular Weight 235.327 g/mol
SMILES [C@](C(=O)OC)([C@](NC(C1=CC=CC=C1)C)(C)[H])(C)[H]