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4,4'-Dinitro-1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid
SpectraBase Compound ID 91kb37xmu7f
InChI InChI=1S/C16H8N2O12/c19-13(20)7-1-5(17(27)28)2-8(14(21)22)11(7)12-9(15(23)24)3-6(18(29)30)4-10(12)16(25)26/h1-4H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey OKBYJVLMDDZTQR-UHFFFAOYSA-N
Mol Weight 420.24 g/mol
Molecular Formula C16H8N2O12
Exact Mass 420.007724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gC9370qw36
Name 4,4'-Dinitro-1,1'-biphenyl-2,2',6,6'-tetracarboxylic acid
Alternate Name(s) 4,4'-Dinitro-1,1'-diphenyl-2,2',6,6'-tetracarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8N2O12
InChI InChI=1S/C16H8N2O12/c19-13(20)7-1-5(17(27)28)2-8(14(21)22)11(7)12-9(15(23)24)3-6(18(29)30)4-10(12)16(25)26/h1-4H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey OKBYJVLMDDZTQR-UHFFFAOYSA-N
Molecular Weight 420.242 g/mol
SMILES OC(c1cc(cc(c1-c1c(C(=O)O)cc(cc1C(=O)O)N(=O)=O)C(=O)O)N(=O)=O)=O
SPLASH splash10-000i-5092100000-65b7da116953cbbf49ec
Source of Spectrum G-66-829-2
Wiley ID 871852