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(5S,6R,7S,8S)-6,7,8-TRIHYDROXY-4-OXASPIRO-[2.5]-OCT-5-YL-2,4-DINITROBENZOATE
SpectraBase Compound ID EFRCDCILbCT
InChI InChI=1S/C13H14N2O9/c16-9-10(17)12(24-13(3-4-13)11(9)18)23-8-2-1-6(14(19)20)5-7(8)15(21)22/h1-2,5,9-12,16-18H,3-4H2/t9-,10-,11+,12-/m0/s1
InChIKey NCRWSMIASGDUGP-YFKTTZPYSA-N
Mol Weight 342.26 g/mol
Molecular Formula C13H14N2O9
Exact Mass 342.06993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVJBnIKeTEH
Name (5S,6R,7S,8S)-6,7,8-TRIHYDROXY-4-OXASPIRO-[2.5]-OCT-5-YL-2,4-DINITROBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O9
InChI InChI=1S/C13H14N2O9/c16-9-10(17)12(24-13(3-4-13)11(9)18)23-8-2-1-6(14(19)20)5-7(8)15(21)22/h1-2,5,9-12,16-18H,3-4H2/t9-,10-,11+,12-/m0/s1
InChIKey NCRWSMIASGDUGP-YFKTTZPYSA-N
Literature Reference Author R.HUBER,L.P.MOLLEYRES,A.VASELLA
Literature Reference Citation HELV.CHIM.ACTA,73,1329(1990)
Literature Reference DOI 10.1002/hlca.19900730521
Molecular Weight 342.262 g/mol
Solvent ACETONE-D6
Source File Reference UWED15673