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(3S,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]hexanoate
SpectraBase Compound ID 12a8ISzUMc9
InChI InChI=1S/C16H25NO2/c1-4-9-15(12-16(18)19-5-2)17-13(3)14-10-7-6-8-11-14/h6-8,10-11,13,15,17H,4-5,9,12H2,1-3H3/t13-,15+/m1/s1
InChIKey JBVXKNPUXUKLRD-HIFRSBDPSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8iRcEIwCdc
Name (3S,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]hexanoate
Alternate Name(s) Ethyl (3S)-3-{[(1R)-1-phenylethyl]amino}hexanoate Ethyl (3S)-3-[[(1R)-1-phenylethyl]amino]hexanoate
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Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-4-9-15(12-16(18)19-5-2)17-13(3)14-10-7-6-8-11-14/h6-8,10-11,13,15,17H,4-5,9,12H2,1-3H3/t13-,15+/m1/s1
InChIKey JBVXKNPUXUKLRD-HIFRSBDPSA-N
Molecular Weight 263.381 g/mol
SMILES N([C@](CC(=O)OCC)(CCC)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-0910000000-3518f3e46c4b3f15dd8b
Source of Spectrum J-61-5561-2
Wiley ID 1267089