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(R(S))-N-(tert-Butanesulfinyl)-3-(4-methylphenyl)propan-1-imine
SpectraBase Compound ID tTNeiehFo1
InChI InChI=1S/C14H21NOS/c1-12-7-9-13(10-8-12)6-5-11-15-17(16)14(2,3)4/h7-11H,5-6H2,1-4H3
InChIKey VLJIGJCTQKQOMY-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 4S4BJq8lt3Z
Name (R(S))-N-(tert-Butanesulfinyl)-3-(4-methylphenyl)propan-1-imine
Appearance Colorless oil
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Exact Mass 251.134385473 u
Formula C14H21NOS
InChI InChI=1S/C14H21NOS/c1-12-7-9-13(10-8-12)6-5-11-15-17(16)14(2,3)4/h7-11H,5-6H2,1-4H3
InChIKey VLJIGJCTQKQOMY-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 = -127 (c = 1, CH2Cl2)
Quality 69
Reported Formula C14H21NOS
SMILES C1=CC(=CC=C1C)CCC=N[S@@](C(C)(C)C)=O
SPLASH splash10-0a4i-0900000000-590f4c69bb3b14bf0fc7
Source of Spectrum K1-2018-2613-4d (DOI: 10.1002/ejoc.201800111)
Thin-Layer Chromatography 0.78 (hexane/EtOAc, 1:1)
Wiley ID 1894042