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(2S,3S,RS) and (2R,3S,RS)-N-(tert-Butoxycarbonyl)-3-amino-4-methyl-1-(p-tolylsulfinyl)-2-pentanol
SpectraBase Compound ID 9jBcW1zPc5
InChI InChI=1S/C18H29NO4S/c1-12(2)16(19-17(21)23-18(4,5)6)15(20)11-24(22)14-9-7-13(3)8-10-14/h7-10,12,15-16,20H,11H2,1-6H3,(H,19,21)/t15?,16-,24?/m0/s1
InChIKey GXTQXGPNILXFRZ-LYAYERMMSA-N
Mol Weight 355.49 g/mol
Molecular Formula C18H29NO4S
Exact Mass 355.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12SwOMgYqqq
Name (2S,3S,RS) and (2R,3S,RS)-N-(tert-Butoxycarbonyl)-3-amino-4-methyl-1-(p-tolylsulfinyl)-2-pentanol
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Formula C18H29NO4S
InChI InChI=1S/C18H29NO4S/c1-12(2)16(19-17(21)23-18(4,5)6)15(20)11-24(22)14-9-7-13(3)8-10-14/h7-10,12,15-16,20H,11H2,1-6H3,(H,19,21)/t15?,16-,24?/m0/s1
InChIKey GXTQXGPNILXFRZ-LYAYERMMSA-N
Molecular Weight 355.493 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(C[S@@](c1ccc(C)cc1)=O)O)(C(C)C)[H]
SPLASH splash10-07pr-6900000000-58e9213eec423198a09f
Source of Spectrum F-65-360-3d
Wiley ID 1682115