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(3R)-N-(tert-Butanesulfonyl)-N-(2-propyl)-1-phenylhex-5-en-3-amine
SpectraBase Compound ID 58HyvjTDHC9
InChI InChI=1S/C19H27NO2S/c1-6-11-18(15-14-17-12-9-8-10-13-17)20(16-7-2)23(21,22)19(3,4)5/h2,6,8-10,12-13,18H,1,11,14-16H2,3-5H3/t18-/m0/s1
InChIKey YVXRCGFMBFPUCS-SFHVURJKSA-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 FRf8f9d8ZVA
Name (3R)-N-(tert-Butanesulfonyl)-N-(2-propyl)-1-phenylhex-5-en-3-amine
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-6-11-18(15-14-17-12-9-8-10-13-17)20(16-7-2)23(21,22)19(3,4)5/h2,6,8-10,12-13,18H,1,11,14-16H2,3-5H3/t18-/m0/s1
InChIKey YVXRCGFMBFPUCS-SFHVURJKSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 333.490 g/mol
Optical Rotation [a]20D = -4.5 (c = 1.05, CH2Cl2)
Reported Formula C19H27NO2S
SMILES C([C@@](N(S(C(C)(C)C)(=O)=O)CC#C)(CC=C)[H])Cc1ccccc1
SPLASH splash10-00di-3900000000-70afbc470c3abdccf1d7
Source of Spectrum U1-2020-122-15a
Thin-Layer Chromatography Rf = 0.62 (hexane/EtOAc, 5:1)
Wiley ID 1856920