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1,1'-Pentamethylenebis(5-nitro-1H-indazol-3-ol)
SpectraBase Compound ID 9ELw9SnILIk
InChI InChI=1S/C19H18N6O6/c26-18-14-10-12(24(28)29)4-6-16(14)22(20-18)8-2-1-3-9-23-17-7-5-13(25(30)31)11-15(17)19(27)21-23/h4-7,10-11H,1-3,8-9H2,(H,20,26)(H,21,27)
InChIKey YJKPYXFQJXJTOV-UHFFFAOYSA-N
Mol Weight 426.39 g/mol
Molecular Formula C19H18N6O6
Exact Mass 426.128782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AY1lPACFvhv
Name 1,1'-Pentamethylenebis(5-nitro-1H-indazol-3-ol)
Alternate Name(s) 1,1'-(pentane-1,5-diyl)bis(5-nitro-1H-indazol-3-ol)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N6O6
InChI InChI=1S/C19H18N6O6/c26-18-14-10-12(24(28)29)4-6-16(14)22(20-18)8-2-1-3-9-23-17-7-5-13(25(30)31)11-15(17)19(27)21-23/h4-7,10-11H,1-3,8-9H2,(H,20,26)(H,21,27)
InChIKey YJKPYXFQJXJTOV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200800176
Molecular Weight 426.389 g/mol
SMILES Oc1n[n](CCCCC[n]2nc(c3cc(ccc23)[N+](=O)[O-])O)c2ccc(cc12)[N+](=O)[O-]
SPLASH splash10-0007-0920100000-8c62fbb6be9ce55b6707
Source of Spectrum CMC-4-85-36
Wiley ID 1771512