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(R(S))-N-(tert-Butanesulfinyl)-4-phenylbutan-1-imine
SpectraBase Compound ID AlOhN5trQdy
InChI InChI=1S/C14H21NOS/c1-14(2,3)17(16)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,12H,7-8,11H2,1-3H3
InChIKey YYSLKTVHCSVYAZ-UHFFFAOYSA-N
Mol Weight 251.39 g/mol
Molecular Formula C14H21NOS
Exact Mass 251.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hWpL6iU0hW
Name (R(S))-N-(tert-Butanesulfinyl)-4-phenylbutan-1-imine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.134385473 u
Formula C14H21NOS
InChI InChI=1S/C14H21NOS/c1-14(2,3)17(16)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10,12H,7-8,11H2,1-3H3
InChIKey YYSLKTVHCSVYAZ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800111
Molecular Weight 251.388 g/mol
Optical Rotation [a]D23 = -54 (c = 0.5, CH2Cl2)
Quality 69
Reported Formula C14H21NOS
SMILES C(CCC=N[S@@](C(C)(C)C)=O)C1=CC=CC=C1
SPLASH splash10-0a4i-1900000000-022c8cdb554b9993797f
Source of Spectrum K1-2018-2613-4i (DOI: 10.1002/ejoc.201800111)
Thin-Layer Chromatography 0.78 (hexane/EtOAc, 1:1)
Wiley ID 1894047