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Ethanone, 1-[2-(acetyloxy)-6-(2,4-dinitrophenoxy)-3,4-dimethoxyphenyl]-
SpectraBase Compound ID GP533ncanxZ
InChI InChI=1S/C18H16N2O10/c1-9(21)16-14(8-15(27-3)17(28-4)18(16)29-10(2)22)30-13-6-5-11(19(23)24)7-12(13)20(25)26/h5-8H,1-4H3
InChIKey RCSSCIOPNMUHJR-UHFFFAOYSA-N
Mol Weight 420.33 g/mol
Molecular Formula C18H16N2O10
Exact Mass 420.080495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnndhFB00cN
Name Ethanone, 1-[2-(acetyloxy)-6-(2,4-dinitrophenoxy)-3,4-dimethoxyphenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 420.080494713 u
Formula C18H16N2O10
InChI InChI=1S/C18H16N2O10/c1-9(21)16-14(8-15(27-3)17(28-4)18(16)29-10(2)22)30-13-6-5-11(19(23)24)7-12(13)20(25)26/h5-8H,1-4H3
InChIKey RCSSCIOPNMUHJR-UHFFFAOYSA-N
Molecular Weight 420.330 g/mol
SMILES C1(N(=O)=O)=CC(N(=O)=O)=CC=C1OC=1C(=C(OC(=O)C)C(=C(C1)OC)OC)C(=O)C