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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INDJMEqzjLG
Name (3S,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]-4,4-dimethylpentanoate
Alternate Name(s) (3R,.alpha.R)-Ethyl 3-[N-(.alpha.-methylbenzyl)amino]-4,4-dimethylpentanoate Ethyl (3R)-4,4-dimethyl-3-[(1-phenylethyl)amino]pentanoate Ethyl (3S)-4,4-dimethyl-3-[(1-phenylethyl)amino]pentanoate (3S)-4,4-dimethyl-3-[[(1R)-1-phenylethyl]amino]pentanoic acid ethyl ester Ethyl (3S)-4,4-dimethyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
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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 N([C@@](CC(=O)OCC)(C(C)(C)C)[H])[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0ab9-0940000000-673626555f1d46350742
Source of Spectrum J-61-5561-2
Wiley ID 1281172