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1,1'-(o-Xylylene)bis(5-nitro-1H-indazol-3-ol)
SpectraBase Compound ID GbZGpURa8WL
InChI InChI=1S/C22H16N6O6/c29-21-17-9-15(27(31)32)5-7-19(17)25(23-21)11-13-3-1-2-4-14(13)12-26-20-8-6-16(28(33)34)10-18(20)22(30)24-26/h1-10H,11-12H2,(H,23,29)(H,24,30)
InChIKey UKCMKWVKZFXUJU-UHFFFAOYSA-N
Mol Weight 460.41 g/mol
Molecular Formula C22H16N6O6
Exact Mass 460.113132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gQcK2IA9Vj
Name 1,1'-(o-Xylylene)bis(5-nitro-1H-indazol-3-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N6O6
InChI InChI=1S/C22H16N6O6/c29-21-17-9-15(27(31)32)5-7-19(17)25(23-21)11-13-3-1-2-4-14(13)12-26-20-8-6-16(28(33)34)10-18(20)22(30)24-26/h1-10H,11-12H2,(H,23,29)(H,24,30)
InChIKey UKCMKWVKZFXUJU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800176
Molecular Weight 460.406 g/mol
SMILES Oc1n[n](Cc2c(C[n]3nc(c4cc(ccc34)[N+](=O)[O-])O)cccc2)c2ccc(cc12)[N+](=O)[O-]
SPLASH splash10-001i-1390000000-34c46dc800e31c5cd9db
Source of Spectrum CMC-4-84-5
Synonyms 1,1'-(1,2-phenylenebis(methylene))bis(5-nitro-1H-indazol-3-ol) 5-Nitro-1-[[2-[(5-nitro-3-oxo-2H-indazol-1-yl)methyl]phenyl]methyl]-2H-indazol-3-one 5-Nitro-1-[[2-[(5-nitro-3-oxidanylidene-2H-indazol-1-yl)methyl]phenyl]methyl]-2H-indazol-3-one
Wiley ID 1771515