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(S,R)-N-[(2-N-tert-Butyloxycarbonylamino)(3-methyl)butyl]-S-methyl-S-phenylsulfoximine
SpectraBase Compound ID 8D9JG0ZmX7n
InChI InChI=1S/C17H28N2O3S/c1-13(2)15(19-16(20)22-17(3,4)5)12-18-23(6,21)14-10-8-7-9-11-14/h7-11,13,15H,12H2,1-6H3,(H,19,20)/t15-,23-/m1/s1
InChIKey FJOYJHHMXTWOSH-IQMFZBJNSA-N
Mol Weight 340.48 g/mol
Molecular Formula C17H28N2O3S
Exact Mass 340.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hlJHOvgW3f
Name (S,R)-N-[(2-N-tert-Butyloxycarbonylamino)(3-methyl)butyl]-S-methyl-S-phenylsulfoximine
Comments Note: The molecular formula of the structure shown is C17H28N2O3S - which differs from the formula reported for the mass spectrum (C21H36N2O4S)
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Formula C21H36N2O4S
InChI InChI=1S/C17H28N2O3S/c1-13(2)15(19-16(20)22-17(3,4)5)12-18-23(6,21)14-10-8-7-9-11-14/h7-11,13,15H,12H2,1-6H3,(H,19,20)/t15-,23-/m1/s1
InChIKey FJOYJHHMXTWOSH-IQMFZBJNSA-N
Molecular Weight 340.482 g/mol
SMILES N(C(=O)OC(C)(C)C)[C@](CN=[S@](=O)(c1ccccc1)C)(C(C)C)[H]
SPLASH splash10-014l-1900000000-bbe6e5f1ba6e601b53da
Source of Spectrum SO-0-886-10
Wiley ID 864812