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(Z)-1-Methyl-2-(4-nitrobenzoyl)-3-oxo-1-butenyl p-nitrobenzoate

View entire compound with spectra: 1 NMR

(Z)-1-Methyl-2-(4-nitrobenzoyl)-3-oxo-1-butenyl p-nitrobenzoate
SpectraBase Compound ID 1znszfIDaTi
InChI InChI=1S/C19H14N2O8/c1-11(22)17(18(23)13-3-7-15(8-4-13)20(25)26)12(2)29-19(24)14-5-9-16(10-6-14)21(27)28/h3-10H,1-2H3/b17-12+
InChIKey TWYMNMMKGZRNSY-SFQUDFHCSA-N
Mol Weight 398.33 g/mol
Molecular Formula C19H14N2O8
Exact Mass 398.075015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3P1G6jCaQ
Name (Z)-1-Methyl-2-(4-nitrobenzoyl)-3-oxo-1-butenyl p-nitrobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.075015411 u
Formula C19H14N2O8
InChI InChI=1S/C19H14N2O8/c1-11(22)17(18(23)13-3-7-15(8-4-13)20(25)26)12(2)29-19(24)14-5-9-16(10-6-14)21(27)28/h3-10H,1-2H3/b17-12+
InChIKey TWYMNMMKGZRNSY-SFQUDFHCSA-N
Molecular Weight 398.327 g/mol
SMILES C1=C(C(O\C(=C/(C(=O)C)C(C2=CC=C(C=C2)N(=O)=O)=O)C)=O)C=CC(=C1)N(=O)=O