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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60CU3LPVBDo
Name 3-HYDROXY-1-METHYL-6-NITRO-1,4-DIHYDROCINNOLIN-4-ONE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author V.J.ARAN,J.L.ASENSIO,J.MOLINA,P.MUNOZ,J.R.RUIZ,M.STUD
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2229(1997)
Literature Reference DOI 10.1039/a701103b
Molecular Weight 221.172 g/mol
Solvent DMSO-D6
Source File Reference UWRU9170