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1,1'-(m-Xylylene)bis(5-nitro-1H-indazol-3-ol)
SpectraBase Compound ID 73Ru4UlSekQ
InChI InChI=1S/C22H16N6O6/c29-21-17-9-15(27(31)32)4-6-19(17)25(23-21)11-13-2-1-3-14(8-13)12-26-20-7-5-16(28(33)34)10-18(20)22(30)24-26/h1-10H,11-12H2,(H,23,29)(H,24,30)
InChIKey XRTCVXVMZVQRET-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 Knair68rCRf
Name 1,1'-(m-Xylylene)bis(5-nitro-1H-indazol-3-ol)
Alternate Name(s) 1,1'-(1,3-phenylenebis(methylene))bis(5-nitro-1H-indazol-3-ol) 5-Nitro-1-[[3-[(5-nitro-3-oxo-2H-indazol-1-yl)methyl]phenyl]methyl]-2H-indazol-3-one 5-Nitro-1-[[3-[(5-nitro-3-oxidanylidene-2H-indazol-1-yl)methyl]phenyl]methyl]-2H-indazol-3-one
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Formula C22H16N6O6
InChI InChI=1S/C22H16N6O6/c29-21-17-9-15(27(31)32)4-6-19(17)25(23-21)11-13-2-1-3-14(8-13)12-26-20-7-5-16(28(33)34)10-18(20)22(30)24-26/h1-10H,11-12H2,(H,23,29)(H,24,30)
InChIKey XRTCVXVMZVQRET-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800176
Molecular Weight 460.406 g/mol
SMILES Oc1n[n](Cc2cc(C[n]3nc(c4cc(ccc34)[N+](=O)[O-])O)ccc2)c2ccc(cc12)[N+](=O)[O-]
SPLASH splash10-0f8i-2790300000-177b20b070a34a9313db
Source of Spectrum CMC-4-84-30
Wiley ID 1771506