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Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester

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Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester
SpectraBase Compound ID 6PLPXMOP6oN
InChI InChI=1S/C20H21NO4/c1-15(2)24-17-9-11-18(12-10-17)25-20(23)14-13-19(22)21(3)16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+
InChIKey XCXWNDVFTXQAHX-BUHFOSPRSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MtWUtzWABf
Name Fumaric acid, monoamide, N-methyl-N-phenyl-, 4-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-15(2)24-17-9-11-18(12-10-17)25-20(23)14-13-19(22)21(3)16-7-5-4-6-8-16/h4-15H,1-3H3/b14-13+
InChIKey XCXWNDVFTXQAHX-BUHFOSPRSA-N
Molecular Weight 339.391 g/mol
SMILES C1=C(C=CC(=C1)OC(C)C)OC(=O)\C=C\C(N(C)C1=CC=CC=C1)=O