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CBOFNCTXMOHENB-LJOQIOMMSA-N
SpectraBase Compound ID BPjurBeDb3t
InChI InChI=1S/C16H18N2O8S/c1-9(8-27-11(15(21)25-4)6-12(19)23-2)18-7-10(14(20)24-3)13(17-18)16(22)26-5/h6-8H,1-5H3/b9-8+,11-6+
InChIKey CBOFNCTXMOHENB-LJOQIOMMSA-N
Mol Weight 398.39 g/mol
Molecular Formula C16H18N2O8S
Exact Mass 398.078387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EQ6XNEGPmG
Name CBOFNCTXMOHENB-LJOQIOMMSA-N
Compound Number 966
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2O8S
InChI InChI=1S/C16H18N2O8S/c1-9(8-27-11(15(21)25-4)6-12(19)23-2)18-7-10(14(20)24-3)13(17-18)16(22)26-5/h6-8H,1-5H3/b9-8+,11-6+
InChIKey CBOFNCTXMOHENB-LJOQIOMMSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 398.388 g/mol
Solvent CDCl3
Source File Reference UWVP2273