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N-[(1S)-1-[(1R)-1-hydroxy-2-(p-tolylthio)ethyl]-3-methyl-butyl]carbamic acid tert-butyl ester
SpectraBase Compound ID AlDmvN7Upqm
InChI InChI=1S/C19H31NO3S/c1-13(2)11-16(20-18(22)23-19(4,5)6)17(21)12-24-15-9-7-14(3)8-10-15/h7-10,13,16-17,21H,11-12H2,1-6H3,(H,20,22)/t16-,17-/m0/s1
InChIKey FEVKSUPTMYVYFI-IRXDYDNUSA-N
Mol Weight 353.52 g/mol
Molecular Formula C19H31NO3S
Exact Mass 353.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPnMSofe2qA
Name N-[(1S)-1-[(1R)-1-hydroxy-2-(p-tolylthio)ethyl]-3-methyl-butyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(2R,3S)-2-hydroxy-5-methyl-1-[(4-methylphenyl)thio]hexan-3-yl]carbamic acid tert-butyl ester tert-Butyl N-[(1S)-1-[(1R)-1-hydroxy-2-(p-tolylsulfanyl)ethyl]-3-methyl-butyl]carbamate tert-Butyl N-[(2R,3S)-2-hydroxy-5-methyl-1-(4-methylphenyl)sulfanylhexan-3-yl]carbamate tert-Butyl N-[(2R,3S)-5-methyl-1-(4-methylphenyl)sulfanyl-2-oxidanyl-hexan-3-yl]carbamate
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Formula C19H31NO3S
InChI InChI=1S/C19H31NO3S/c1-13(2)11-16(20-18(22)23-19(4,5)6)17(21)12-24-15-9-7-14(3)8-10-15/h7-10,13,16-17,21H,11-12H2,1-6H3,(H,20,22)/t16-,17-/m0/s1
InChIKey FEVKSUPTMYVYFI-IRXDYDNUSA-N
Molecular Weight 353.521 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@](CSc1ccc(cc1)C)(O)[H])(CC(C)C)[H]
SPLASH splash10-0a4r-9420000000-bedff51cba844e4cff85
Source of Spectrum KD-14-552-7
Wiley ID 1635905