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ANCORINAZOLE

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ANCORINAZOLE
SpectraBase Compound ID 9uMWl8XzzeH
InChI InChI=1S/C18H12N2O8S2.2Na/c21-15-7-11-14(8-16(15)28-30(25,26)27)20(29(22,23)24)13-6-5-10-9-3-1-2-4-12(9)19-18(10)17(11)13;;/h1-8,19,21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey KZVQKSVJMWZELM-UHFFFAOYSA-L
Mol Weight 492.38353856 g/mol
Molecular Formula C18H10N2Na2O8S2
Exact Mass 491.967396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nDmu0zlL55
Name ANCORINAZOLE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H10N2Na2O8S2
InChI InChI=1S/C18H12N2O8S2.2Na/c21-15-7-11-14(8-16(15)28-30(25,26)27)20(29(22,23)24)13-6-5-10-9-3-1-2-4-12(9)19-18(10)17(11)13;;/h1-8,19,21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey KZVQKSVJMWZELM-UHFFFAOYSA-L
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 492.386 g/mol
Solvent DMSO-D6
Source File Reference UWMS24957