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Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, neopentyl ester

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Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, neopentyl ester
SpectraBase Compound ID 3M4p58P2v5P
InChI InChI=1S/C17H23NO5/c1-17(2,3)11-23-16(20)9-8-15(19)18-13-7-6-12(21-4)10-14(13)22-5/h6-10H,11H2,1-5H3,(H,18,19)/b9-8+
InChIKey OWSNUCOKTSZCKY-CMDGGOBGSA-N
Mol Weight 321.37 g/mol
Molecular Formula C17H23NO5
Exact Mass 321.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50Ol9Apxz8H
Name Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.157622840 u
Formula C17H23NO5
InChI InChI=1S/C17H23NO5/c1-17(2,3)11-23-16(20)9-8-15(19)18-13-7-6-12(21-4)10-14(13)22-5/h6-10H,11H2,1-5H3,(H,18,19)/b9-8+
InChIKey OWSNUCOKTSZCKY-CMDGGOBGSA-N
Molecular Weight 321.373 g/mol
SMILES COC1=CC=C(C(OC)=C1)NC(\C=C\C(=O)OCC(C)(C)C)=O