John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16EwBiaAnZA SpectraBase Spectrum ID=GM6hb9uPNuw

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BIS-ANCORINOLATE-B
SpectraBase Compound ID 16EwBiaAnZA
InChI InChI=1S/C16H12N2O16S4.4Na/c19-15-14(34-38(29,30)31)7-11-9(2-4-18(11)36(23,24)25)16(15)32-12-5-8-1-3-17(35(20,21)22)10(8)6-13(12)33-37(26,27)28;;;;/h1-7,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4
InChIKey IFCUCPKNRXBLHE-UHFFFAOYSA-J
Mol Weight 704.43707713 g/mol
Molecular Formula C16H8N2Na4O16S4
Exact Mass 703.834749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GM6hb9uPNuw
Name BIS-ANCORINOLATE-B
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H8N2Na4O16S4
InChI InChI=1S/C16H12N2O16S4.4Na/c19-15-14(34-38(29,30)31)7-11-9(2-4-18(11)36(23,24)25)16(15)32-12-5-8-1-3-17(35(20,21)22)10(8)6-13(12)33-37(26,27)28;;;;/h1-7,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4
InChIKey IFCUCPKNRXBLHE-UHFFFAOYSA-J
Literature Reference Author K.M.MARAGELMAN,L.M.WEST,P.T.NORTHCOTE,L.K.PANNEL,T.C.MCKEE,M .R.BOYD
Literature Reference Citation J.ORG.CHEM.,67,6671(2002)
Literature Reference DOI 10.1021/jo020120k
Molecular Weight 704.442 g/mol
Solvent DMSO-D6
Source File Reference UWMS24962
SpectraBase Batch ID JyYNdwOxZ5W