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(3S,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]-4,4-dimethylpentanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(3S,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]-4,4-dimethylpentanoate
SpectraBase Compound ID 1CTKSiTLY4L
InChI InChI=1S/C17H27NO2/c1-6-20-16(19)12-15(17(3,4)5)18-13(2)14-10-8-7-9-11-14/h7-11,13,15,18H,6,12H2,1-5H3/t13-,15+/m1/s1
InChIKey BJAAYNUEGTVOPG-HIFRSBDPSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fEzhTQVZA4
Name (3S,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]-4,4-dimethylpentanoate
Comments Computed using HOSE algorithm
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Exact Mass 277.204179111 u
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-6-20-16(19)12-15(17(3,4)5)18-13(2)14-10-8-7-9-11-14/h7-11,13,15,18H,6,12H2,1-5H3/t13-,15+/m1/s1
InChIKey BJAAYNUEGTVOPG-HIFRSBDPSA-N
Molecular Weight 277.408 g/mol
SMILES C([C@](N[C@@](C1=CC=CC=C1)(C)[H])(C(C)(C)C)[H])C(=O)OCC