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(3R)-N-(tert-Butanesulfonyl)-N-(2-propyl)-1-phenylhex-5-yn-3-amine
SpectraBase Compound ID JLGO0s96jds
InChI InChI=1S/C19H25NO2S/c1-6-11-18(15-14-17-12-9-8-10-13-17)20(16-7-2)23(21,22)19(3,4)5/h1-2,8-10,12-13,18H,11,14-16H2,3-5H3/t18-/m0/s1
InChIKey QJAMAGFYMQFDMY-SFHVURJKSA-N
Mol Weight 331.47 g/mol
Molecular Formula C19H25NO2S
Exact Mass 331.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lLk9ZEkIY1
Name (3R)-N-(tert-Butanesulfonyl)-N-(2-propyl)-1-phenylhex-5-yn-3-amine
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO2S
InChI InChI=1S/C19H25NO2S/c1-6-11-18(15-14-17-12-9-8-10-13-17)20(16-7-2)23(21,22)19(3,4)5/h1-2,8-10,12-13,18H,11,14-16H2,3-5H3/t18-/m0/s1
InChIKey QJAMAGFYMQFDMY-SFHVURJKSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 331.474 g/mol
Optical Rotation [a]20D = -0.8 (c = 1.05, CH2Cl2)
Reported Formula C19H25NO2S
SMILES C([C@@](N(S(C(C)(C)C)(=O)=O)CC#C)(CC#C)[H])Cc1ccccc1
SPLASH splash10-00di-3900000000-d80c3fb3779333e56020
Source of Spectrum U1-2020-121-5a
Thin-Layer Chromatography Rf = 0.51 (hexane/EtOAc, 5:1)
Wiley ID 1856933