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(R(S))-N-(tert-Butanesulfinyl)-3-phenylpropan-1-imine
SpectraBase Compound ID 2AinsLxZnQx
InChI InChI=1S/C13H19NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h4-6,8-9,11H,7,10H2,1-3H3
InChIKey SFOYOSOMRXCMMJ-UHFFFAOYSA-N
Mol Weight 237.36 g/mol
Molecular Formula C13H19NOS
Exact Mass 237.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 594CQYM3rge
Name (R(S))-N-(tert-Butanesulfinyl)-3-phenylpropan-1-imine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.118735409 u
Formula C13H19NOS
InChI InChI=1S/C13H19NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h4-6,8-9,11H,7,10H2,1-3H3
InChIKey SFOYOSOMRXCMMJ-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800111
Molecular Weight 237.361 g/mol
Optical Rotation [a]D23 = -208 (c = 1.1, CH2Cl2)
Quality 91
SMILES C1=CC(=CC=C1)CCC=N[S@@](C(C)(C)C)=O
SPLASH splash10-0006-9200000000-a143c428a6c327eb611a
Source of Spectrum K1-2018-2612-4a (DOI: 10.1002/ejoc.201800111)
Thin-Layer Chromatography 0.78 (hexane/EtOAc, 1:1)
Wiley ID 1894039