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(2S)-1-(tert-Butanesulfonyl)-2-phenethyl-5-vinyl-1,2,3,6-tetrahydropyridine
SpectraBase Compound ID BTsc1EalwrE
InChI InChI=1S/C19H27NO2S/c1-5-16-11-13-18(14-12-17-9-7-6-8-10-17)20(15-16)23(21,22)19(2,3)4/h5-11,18H,1,12-15H2,2-4H3/t18-/m1/s1
InChIKey XEBPUDVKJWSNPS-GOSISDBHSA-N
Mol Weight 333.49 g/mol
Molecular Formula C19H27NO2S
Exact Mass 333.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Js0eR1Sonkz
Name (2S)-1-(tert-Butanesulfonyl)-2-phenethyl-5-vinyl-1,2,3,6-tetrahydropyridine
Appearance Colorless wax
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Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-5-16-11-13-18(14-12-17-9-7-6-8-10-17)20(15-16)23(21,22)19(2,3)4/h5-11,18H,1,12-15H2,2-4H3/t18-/m1/s1
InChIKey XEBPUDVKJWSNPS-GOSISDBHSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 333.490 g/mol
Optical Rotation [a]20D = +8.6 (c = 0.84, CH2Cl2)
Reported Formula C19H27NO2S
SMILES [C@@]1([H])(N(S(=O)(=O)C(C)(C)C)CC(=CC1)C=C)CCc1ccccc1
SPLASH splash10-0a4i-5930000000-8208b3691e5812bb743d
Source of Spectrum U1-2020-124-ent-16a
Thin-Layer Chromatography Rf = 0.51 (hexane/EtOAc, 4:1)
Wiley ID 1856957