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(RS,SC)-N-{2-[(tert-Butyloxycarbonyl)amino]-4-methylpentyl}-S-methyl-S-phenylsulfoximine
SpectraBase Compound ID DiLXFq71jrF
InChI InChI=1S/C18H30N2O3S/c1-14(2)12-15(20-17(21)23-18(3,4)5)13-19-24(6,22)16-10-8-7-9-11-16/h7-11,14-15H,12-13H2,1-6H3,(H,20,21)/t15-,24+/m0/s1
InChIKey OIVDDSAAWWXCPP-IZHWHUGBSA-N
Mol Weight 354.51 g/mol
Molecular Formula C18H30N2O3S
Exact Mass 354.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID W0sv2br1wv
Name (RS,SC)-N-{2-[(tert-Butyloxycarbonyl)amino]-4-methylpentyl}-S-methyl-S-phenylsulfoximine
Appearance Colourless oil
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Formula C18H30N2O3S
InChI InChI=1S/C18H30N2O3S/c1-14(2)12-15(20-17(21)23-18(3,4)5)13-19-24(6,22)16-10-8-7-9-11-16/h7-11,14-15H,12-13H2,1-6H3,(H,20,21)/t15-,24+/m0/s1
InChIKey OIVDDSAAWWXCPP-IZHWHUGBSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.164
Molecular Weight 354.509 g/mol
Optical Rotation [a]D = -77.9 (c = 2.2, CHCl3)
Reported Formula C18H31N2O3S
SMILES N([C@](CN=[S@@](c1ccccc1)(=O)C)(CC(C)C)[H])C(OC(C)(C)C)=O
SPLASH splash10-014l-1900000000-9210c10cee82f1995260
Source of Spectrum BJO-8-SM5-(RS,SC)-17
Wiley ID 1864991