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IBWXTTBDPPVWDV-UHFFFAOYSA-N

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IBWXTTBDPPVWDV-UHFFFAOYSA-N
SpectraBase Compound ID IdO9x6LBPNs
InChI InChI=1S/C13H7NO4/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13/h1-7H
InChIKey IBWXTTBDPPVWDV-UHFFFAOYSA-N
Mol Weight 241.2 g/mol
Molecular Formula C13H7NO4
Exact Mass 241.037508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqiGyhxxaUB
Name 3-NITROXANTHONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7NO4
InChI InChI=1S/C13H7NO4/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13/h1-7H
InChIKey IBWXTTBDPPVWDV-UHFFFAOYSA-N
Literature Reference Author W.IBROM,A.W.FRAHM
Literature Reference Citation MAGN.RES.CHEM.,34,937(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199611)34:11<937::aid-omr984>3.0.co;2-#
Molecular Weight 241.203 g/mol
Solvent DMSO-D6
Source File Reference UWCP456