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PARA-NITROPHENYL-6-DEOXY-6-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 6hPW7R3FLa5
InChI InChI=1S/C13H14N2O7S/c16-10-9(5-14-6-23)22-13(12(18)11(10)17)21-8-3-1-7(2-4-8)15(19)20/h1-4,9-13,16-18H,5H2/t9-,10-,11+,12+,13+/m0/s1
InChIKey CZJBYAUYIDYZHV-KIJLLGNVSA-N
Mol Weight 342.32 g/mol
Molecular Formula C13H14N2O7S
Exact Mass 342.052172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJJfqQkVC62
Name PARA-NITROPHENYL-6-DEOXY-6-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O7S
InChI InChI=1S/C13H14N2O7S/c16-10-9(5-14-6-23)22-13(12(18)11(10)17)21-8-3-1-7(2-4-8)15(19)20/h1-4,9-13,16-18H,5H2/t9-,10-,11+,12+,13+/m0/s1
InChIKey CZJBYAUYIDYZHV-KIJLLGNVSA-N
Literature Reference Author S.KOETTER,U.KRALLMANN-WENZEL,S.EHLERS,T.K.LINDHORST
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2193(1998)
Literature Reference DOI 10.1039/a801985a
Molecular Weight 342.323 g/mol
Solvent CDCl3
Source File Reference UWPA514