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(R(S))-N-(tert-Butanesulfinyl)-3-(2-methylphenyl)propanimine
SpectraBase Compound ID 7tjPda102w1
InChI InChI=1S/C14H21NOS/c1-12-8-5-6-9-13(12)10-7-11-15-17(16)14(2,3)4/h5-6,8-9,11H,7,10H2,1-4H3
InChIKey UKYXYKBKVHSUIC-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 6jXbI55jWUj
Name (R(S))-N-(tert-Butanesulfinyl)-3-(2-methylphenyl)propanimine
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/c1-12-8-5-6-9-13(12)10-7-11-15-17(16)14(2,3)4/h5-6,8-9,11H,7,10H2,1-4H3
InChIKey UKYXYKBKVHSUIC-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 = -115 (c = 1.2, CH2Cl2)
Quality 121
Reported Formula C14H21NOS
SMILES C1=CC(=C(C=C1)C)CCC=N[S@@](C(C)(C)C)=O
SPLASH splash10-0a4i-2900000000-7638f3d0bd9f2ba3a276
Source of Spectrum K1-2018-2612-4b (DOI: 10.1002/ejoc.201800111)
Thin-Layer Chromatography 0.78 (hexane/EtOAc, 1:1)
Wiley ID 1894040