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[C(R)S(R)/C(S)S(S)];DIASTEREOMER-2
SpectraBase Compound ID A6QPOcEFRCZ
InChI InChI=1S/C12H17NO4S/c1-9(12(14)13(2)17-4)18(15)11-7-5-10(16-3)6-8-11/h5-9H,1-4H3/t9-,18?/m1/s1
InChIKey BYOKFAYFFQEVIP-XSOCLTCRSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8likKDfxgG2
Name [C(R)S(R)/C(S)S(S)];DIASTEREOMER-2
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-9(12(14)13(2)17-4)18(15)11-7-5-10(16-3)6-8-11/h5-9H,1-4H3/t9-,18?/m1/s1
InChIKey BYOKFAYFFQEVIP-XSOCLTCRSA-N
Literature Reference Author N.L.C.DOMINGUES,P.R.OLIVATO,A.K.C.A.REIS,M.G.MONDINO,F.S.LIM A,R.RITTNER
Literature Reference Citation MAGN.RES.CHEM.,47,270(2009)
Literature Reference DOI 10.1002/mrc.2370
Molecular Weight 271.331 g/mol
Solvent CDCl3
Source File Reference UWLU79539