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2-NITRO-1H-PHENALEN-1-ONE
SpectraBase Compound ID Gtp0LJmKAei
InChI InChI=1S/C13H7NO3/c15-13-10-6-2-4-8-3-1-5-9(12(8)10)7-11(13)14(16)17/h1-7H
InChIKey NYEBMUGPMLUXNV-UHFFFAOYSA-N
Mol Weight 225.2 g/mol
Molecular Formula C13H7NO3
Exact Mass 225.042593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mOaR617Lm8
Name 2-NITRO-1H-PHENALEN-1-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7NO3
InChI InChI=1S/C13H7NO3/c15-13-10-6-2-4-8-3-1-5-9(12(8)10)7-11(13)14(16)17/h1-7H
InChIKey NYEBMUGPMLUXNV-UHFFFAOYSA-N
Literature Reference Author W.HIDALGO,L.DUQUE,J.SAEZ,R.ARANGO,J.GIL,B.ROJANO,B.SCHNEIDER ,F.OTALVARO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,7417(2009)
Literature Reference DOI 10.1021/jf901052e
Molecular Weight 225.203 g/mol
Sample ID 68113
Solvent C3D6O