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(E)-1,2-bis[(2R)-1-(tert-Butanesulfonyl)-6-phenethyl-1,2,3,6-tetrahydropyridin-3-yl]ethane
SpectraBase Compound ID Bf3MiSKboTM
InChI InChI=1S/C36H50N2O4S2/c1-35(2,3)43(39,40)37-27-31(21-25-33(37)23-19-29-13-9-7-10-14-29)17-18-32-22-26-34(24-20-30-15-11-8-12-16-30)38(28-32)44(41,42)36(4,5)6/h7-18,21-22,33-34H,19-20,23-28H2,1-6H3/b18-17+/t33-,34-/m1/s1
InChIKey DPWKLMKMVQLRDY-PTKCYFMJSA-N
Mol Weight 638.9 g/mol
Molecular Formula C36H50N2O4S2
Exact Mass 638.3212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DSPRutdKDh
Name (E)-1,2-bis[(2R)-1-(tert-Butanesulfonyl)-6-phenethyl-1,2,3,6-tetrahydropyridin-3-yl]ethane
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H50N2O4S2
InChI InChI=1S/C36H50N2O4S2/c1-35(2,3)43(39,40)37-27-31(21-25-33(37)23-19-29-13-9-7-10-14-29)17-18-32-22-26-34(24-20-30-15-11-8-12-16-30)38(28-32)44(41,42)36(4,5)6/h7-18,21-22,33-34H,19-20,23-28H2,1-6H3/b18-17+/t33-,34-/m1/s1
InChIKey DPWKLMKMVQLRDY-PTKCYFMJSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 638.926 g/mol
Optical Rotation [a]20D = -12.1 (c = 0.45, CH2Cl2)
Reported Formula C36H50N2O4S2
SMILES C=1(CN([C@@](CC1)(CCc1ccccc1)[H])S(C(C)(C)C)(=O)=O)\C=C\C=1CN([C@@]([H])(CC1)CCc1ccccc1)S(=O)(=O)C(C)(C)C
SPLASH splash10-0a4l-9420100000-cbd73912f917e325b6a9
Source of Spectrum U1-2020-124-17a
Thin-Layer Chromatography Rf = 0.39 (hexane/EtOAc, 3:1)
Wiley ID 1856922