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1-(4-Methoxyphenyl)-2,2-dimethyl-3-(4-nitrophenyl)propane-1,3-dione
SpectraBase Compound ID 1HXSF7MGs5u
InChI InChI=1S/C18H17NO5/c1-18(2,17(21)13-6-10-15(24-3)11-7-13)16(20)12-4-8-14(9-5-12)19(22)23/h4-11H,1-3H3
InChIKey LIBPRBLLASFNPP-UHFFFAOYSA-N
Mol Weight 327.34 g/mol
Molecular Formula C18H17NO5
Exact Mass 327.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76dweECPkXz
Name 2,2-DIMETHYL-1-(4'-METHOXYPHENYL)-3-(4''-NITROPHENYL)-1,3-PROPANEDIONE
Compound Number 5I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17NO5
InChI InChI=1S/C18H17NO5/c1-18(2,17(21)13-6-10-15(24-3)11-7-13)16(20)12-4-8-14(9-5-12)19(22)23/h4-11H,1-3H3
InChIKey LIBPRBLLASFNPP-UHFFFAOYSA-N
Literature Reference Author W.ADAM,H.M.HARRER,W.M.NAU,K.PETERS
Literature Reference Citation J.ORG.CHEM.,59,3786(1994)
Literature Reference DOI 10.1021/jo00093a010
Molecular Weight 327.337 g/mol
Solvent CDCl3
Source File Reference UWCP6906