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1,1'-[(2,6-Pyridinediyl)bismethylene]bis(5-nitro-1H-indazol-3-ol)
SpectraBase Compound ID KxuBxZ3NSmc
InChI InChI=1S/C21H15N7O6/c29-20-16-8-14(27(31)32)4-6-18(16)25(23-20)10-12-2-1-3-13(22-12)11-26-19-7-5-15(28(33)34)9-17(19)21(30)24-26/h1-9H,10-11H2,(H,23,29)(H,24,30)
InChIKey CGVWKEWEQKTADQ-UHFFFAOYSA-N
Mol Weight 461.39 g/mol
Molecular Formula C21H15N7O6
Exact Mass 461.108381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qp6REtOrpC
Name 1,1'-[(2,6-Pyridinediyl)bismethylene]bis(5-nitro-1H-indazol-3-ol)
Alternate Name(s) 1,1'-(pyridine-2,6-diylbis(methylene))bis(5-nitro-1H-indazol-3-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N7O6
InChI InChI=1S/C21H15N7O6/c29-20-16-8-14(27(31)32)4-6-18(16)25(23-20)10-12-2-1-3-13(22-12)11-26-19-7-5-15(28(33)34)9-17(19)21(30)24-26/h1-9H,10-11H2,(H,23,29)(H,24,30)
InChIKey CGVWKEWEQKTADQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800176
Molecular Weight 461.394 g/mol
SMILES Oc1n[n](Cc2cccc(C[n]3nc(c4cc(ccc34)[N+](=O)[O-])O)n2)c2ccc(cc12)[N+](=O)[O-]
SPLASH splash10-06w9-2930100000-f0638bf37094d3c2eaeb
Source of Spectrum CMC-4-85-33
Wiley ID 1771509