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(1S)-N-(tert-Butanesulfonyl)-N-(2-propyl)-1-phenylbut-3-yn-1-amine
SpectraBase Compound ID HsbbEsc4NoO
InChI InChI=1S/C17H21NO2S/c1-6-11-16(15-12-9-8-10-13-15)18(14-7-2)21(19,20)17(3,4)5/h1-2,8-10,12-13,16H,11,14H2,3-5H3/t16-/m0/s1
InChIKey BUSLKTGGCOVRSG-INIZCTEOSA-N
Mol Weight 303.42 g/mol
Molecular Formula C17H21NO2S
Exact Mass 303.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGY5zwXXSBa
Name (1S)-N-(tert-Butanesulfonyl)-N-(2-propyl)-1-phenylbut-3-yn-1-amine
Appearance Yellow solid
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Formula C17H21NO2S
InChI InChI=1S/C17H21NO2S/c1-6-11-16(15-12-9-8-10-13-15)18(14-7-2)21(19,20)17(3,4)5/h1-2,8-10,12-13,16H,11,14H2,3-5H3/t16-/m0/s1
InChIKey BUSLKTGGCOVRSG-INIZCTEOSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 303.420 g/mol
Optical Rotation [a]20D = +14.2 (c = 0.96, CH2Cl2)
Reported Formula C17H21NO2S
SMILES c1([C@@](N(S(C(C)(C)C)(=O)=O)CC#C)(CC#C)[H])ccccc1
SPLASH splash10-0006-4910000000-aec3e82bb7b33dc890d2
Source of Spectrum U1-2020-121-5b
Thin-Layer Chromatography Rf = 0.54 (hexane/EtOAc, 5:1)
Wiley ID 1856934