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(2R,3S,Rs)-N-(tert-Butoxycarbonyl)-3-amino-5-methyl-1-[(4-methylphenyl)sulfinyl]-2-hexanol
SpectraBase Compound ID IXlZVAOh1Y2
InChI InChI=1S/C19H31NO4S/c1-13(2)11-16(20-18(22)24-19(4,5)6)17(21)12-25(23)15-9-7-14(3)8-10-15/h7-10,13,16-17,21H,11-12H2,1-6H3,(H,20,22)/t16-,17-,25?/m0/s1
InChIKey HEXUKWOHJRJXIQ-IAUYEHMKSA-N
Mol Weight 369.52 g/mol
Molecular Formula C19H31NO4S
Exact Mass 369.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MaSdoGV3F9
Name (2R,3S,Rs)-N-(tert-Butoxycarbonyl)-3-amino-5-methyl-1-[(4-methylphenyl)sulfinyl]-2-hexanol
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Formula C19H31NO4S
InChI InChI=1S/C19H31NO4S/c1-13(2)11-16(20-18(22)24-19(4,5)6)17(21)12-25(23)15-9-7-14(3)8-10-15/h7-10,13,16-17,21H,11-12H2,1-6H3,(H,20,22)/t16-,17-,25?/m0/s1
InChIKey HEXUKWOHJRJXIQ-IAUYEHMKSA-N
Molecular Weight 369.520 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@](CS(c1ccc(cc1)C)=O)(O)[H])(CC(C)C)[H]
SPLASH splash10-0079-5900000000-13a0d80c21b7d2426464
Source of Spectrum KD-14-552-6
Synonyms tert-Butyl (1S)-1-{(1R)-1-hydroxy-2-[(4-methylphenyl)sulfinyl]ethyl}-3-methylbutylcarbamate
Wiley ID 1635907