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1,1'-[(2,2'-Biphenyldiyl)bismethylene]bis(5-nitro-1H-indazol-3-ol)
SpectraBase Compound ID 2pai5x6qauS
InChI InChI=1S/C28H20N6O6/c35-27-23-13-19(33(37)38)9-11-25(23)31(29-27)15-17-5-1-3-7-21(17)22-8-4-2-6-18(22)16-32-26-12-10-20(34(39)40)14-24(26)28(36)30-32/h1-14H,15-16H2,(H,29,35)(H,30,36)
InChIKey FGGFHHYVKHLABC-UHFFFAOYSA-N
Mol Weight 536.5 g/mol
Molecular Formula C28H20N6O6
Exact Mass 536.144432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjSmY0smKcO
Name 1,1'-[(2,2'-Biphenyldiyl)bismethylene]bis(5-nitro-1H-indazol-3-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N6O6
InChI InChI=1S/C28H20N6O6/c35-27-23-13-19(33(37)38)9-11-25(23)31(29-27)15-17-5-1-3-7-21(17)22-8-4-2-6-18(22)16-32-26-12-10-20(34(39)40)14-24(26)28(36)30-32/h1-14H,15-16H2,(H,29,35)(H,30,36)
InChIKey FGGFHHYVKHLABC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800176
Molecular Weight 536.504 g/mol
SMILES Oc1n[n](Cc2c(-c3c(C[n]4nc(c5cc(ccc45)[N+](=O)[O-])O)cccc3)cccc2)c2ccc(cc12)[N+](=O)[O-]
SPLASH splash10-00or-0902000000-2b2246b456557c0b4c70
Source of Spectrum CMC-4-84-32
Synonyms 1,1'-([1,1'-biphenyl]-2,2'-diylbis(methylene))bis(5-nitro-1H-indazol-3-ol) 5-Nitro-1-[[2-[2-[(5-nitro-3-oxo-2H-indazol-1-yl)methyl]phenyl]phenyl]methyl]-2H-indazol-3-one 5-Nitro-1-[[2-[2-[(5-nitro-3-oxidanylidene-2H-indazol-1-yl)methyl]phenyl]phenyl]methyl]-2H-indazol-3-one
Wiley ID 1771508