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(4R)-N-(tert-Butanesulfonyl)-N-(2-propyl)tridec-1-yn-4-amine
SpectraBase Compound ID EkXGXLgLmwT
InChI InChI=1S/C20H35NO2S/c1-7-10-11-12-13-14-15-17-19(16-8-2)21(18-9-3)24(22,23)20(4,5)6/h2-3,19H,7,10-18H2,1,4-6H3/t19-/m0/s1
InChIKey HGNOSEMPDYMJIE-IBGZPJMESA-N
Mol Weight 353.6 g/mol
Molecular Formula C20H35NO2S
Exact Mass 353.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qX8pNYgree
Name (4R)-N-(tert-Butanesulfonyl)-N-(2-propyl)tridec-1-yn-4-amine
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35NO2S
InChI InChI=1S/C20H35NO2S/c1-7-10-11-12-13-14-15-17-19(16-8-2)21(18-9-3)24(22,23)20(4,5)6/h2-3,19H,7,10-18H2,1,4-6H3/t19-/m0/s1
InChIKey HGNOSEMPDYMJIE-IBGZPJMESA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 353.565 g/mol
Optical Rotation [a]20D = +6.1 (c = 1.02, CH2Cl2)
Reported Formula C20H35NO2S
SMILES C([C@@](N(S(C(C)(C)C)(=O)=O)CC#C)(CC#C)[H])CCCCCCCC
SPLASH splash10-052f-2900000000-49a6ab062b729bec0ce1
Source of Spectrum U1-2020-121-5d
Thin-Layer Chromatography Rf = 0.67 (hexane/EtOAc, 5:1)
Wiley ID 1856936