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(R(S))-N-(tert-Butanesulfinyl)-3-(thiophen-2-yl)propan-1-imine
SpectraBase Compound ID K7U9AUZJtqc
InChI InChI=1S/C11H17NOS2/c1-11(2,3)15(13)12-8-4-6-10-7-5-9-14-10/h5,7-9H,4,6H2,1-3H3
InChIKey JUYCOPISDUNMMA-UHFFFAOYSA-N
Mol Weight 243.38 g/mol
Molecular Formula C11H17NOS2
Exact Mass 243.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKDu9wMaPHc
Name (R(S))-N-(tert-Butanesulfinyl)-3-(thiophen-2-yl)propan-1-imine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.075156518 u
Formula C11H17NOS2
InChI InChI=1S/C11H17NOS2/c1-11(2,3)15(13)12-8-4-6-10-7-5-9-14-10/h5,7-9H,4,6H2,1-3H3
InChIKey JUYCOPISDUNMMA-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800111
Molecular Weight 243.383 g/mol
Optical Rotation [a]D23 = -41 (c = 1.2, CH2Cl2)
Quality 77
Reported Formula C11H17NOS2
SMILES C=1(CCC=N[S@@](C(C)(C)C)=O)SC=CC1
SPLASH splash10-0002-9100000000-d1b75fed91fa1b1ab518
Source of Spectrum K1-2018-2613-4f (DOI: 10.1002/ejoc.201800111)
Thin-Layer Chromatography 0.72 (hexane/EtOAc, 1:1)
Wiley ID 1894044