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Orellanine (3,3',4,4'-Tetrahydroxy-2,2'-bipyridine-N,N'-dioxide)
SpectraBase Compound ID 81fzAhAi3ju
InChI InChI=1S/C10H8N2O6/c13-5-1-3-11(17)7(9(5)15)8-10(16)6(14)2-4-12(8)18/h1-4,13-16H
InChIKey JEWWXPOUSBVQKG-UHFFFAOYSA-N
Mol Weight 252.18 g/mol
Molecular Formula C10H8N2O6
Exact Mass 252.038236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Cxips3Kuzl
Name Orellanine (3,3',4,4'-Tetrahydroxy-2,2'-bipyridine-N,N'-dioxide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O6
InChI InChI=1S/C10H8N2O6/c13-5-1-3-11(17)7(9(5)15)8-10(16)6(14)2-4-12(8)18/h1-4,13-16H
InChIKey JEWWXPOUSBVQKG-UHFFFAOYSA-N
Molecular Weight 252.182 g/mol
SMILES Oc1c(cc[n+](c1-c1c(c(cc[n+]1[O-])O)O)[O-])O
SPLASH splash10-0udr-0390000000-55f6033d317dfa24702d
Source of Spectrum H1-39-480-1
Wiley ID 756770