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3-HYDROXY-1-METHYL-6-NITRO-1,4-DIHYDROCINNOLIN-4-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-HYDROXY-1-METHYL-6-NITRO-1,4-DIHYDROCINNOLIN-4-ONE
SpectraBase Compound ID 4kGb6V2uNCJ
InChI InChI=1S/C9H7N3O4/c1-11-7-3-2-5(12(15)16)4-6(7)8(13)9(14)10-11/h2-4H,1H3,(H,10,14)
InChIKey KWKPCBAZGUZPEM-UHFFFAOYSA-N
Mol Weight 221.17 g/mol
Molecular Formula C9H7N3O4
Exact Mass 221.043656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek599RUdAla
Name 1-Methyl-6-nitro-2H-cinnoline-3,4-dione
Alternate Name(s) 1-Methyl-6-nitro-2H-cinnoline-3,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O4
InChI InChI=1S/C9H7N3O4/c1-11-7-3-2-5(12(15)16)4-6(7)8(13)9(14)10-11/h2-4H,1H3,(H,10,14)
InChIKey KWKPCBAZGUZPEM-UHFFFAOYSA-N
Molecular Weight 221.172 g/mol
SMILES OC1=NN(c2c(cc(N(=O)=O)cc2)C1=O)C
SPLASH splash10-00di-1970000000-bd858ec81dcb94840272
Source of Spectrum KC-0-2234-22
Wiley ID 823082