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9,10-dihydro-9,10-dioxo-1-nitro-2-anthroic acid

View entire compound with spectra: 2 NMR, 3 FTIR, and 3 MS (GC)

9,10-dihydro-9,10-dioxo-1-nitro-2-anthroic acid
SpectraBase Compound ID 18CBXRiXjDH
InChI InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22/h1-6H,(H,19,20)
InChIKey PMOCDYOEOUEPAN-UHFFFAOYSA-N
Mol Weight 297.22 g/mol
Molecular Formula C15H7NO6
Exact Mass 297.027337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvPgah0Kj4X
Name 1-Nitro-2-anthraquinonecarboxylic acid
Alternate Name(s) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 1-nitro-9,10-dioxo-anthracene-2-carboxylic acid 9,10-diketo-1-nitro-anthracene-2-carboxylic acid
CAS Registry Number 128-67-6
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820989
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7NO6
InChI InChI=1S/C15H7NO6/c17-13-7-3-1-2-4-8(7)14(18)11-9(13)5-6-10(15(19)20)12(11)16(21)22/h1-6H,(H,19,20)
InChIKey PMOCDYOEOUEPAN-UHFFFAOYSA-N
Molecular Weight 297.222 g/mol
SMILES OC(c1ccc2C(c3ccccc3C(c2c1N(=O)=O)=O)=O)=O
SPLASH splash10-00p1-9440000000-473f0893195f8dab1122
Wiley ID 1471950