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Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester

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Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester
SpectraBase Compound ID Ckvkz4bCDdM
InChI InChI=1S/C19H27NO5/c1-19(2,3)13-25-18(22)9-8-17(21)20-11-10-14-6-7-15(23-4)16(12-14)24-5/h6-9,12H,10-11,13H2,1-5H3,(H,20,21)/b9-8+
InChIKey FRRJGWIHBFHMAM-CMDGGOBGSA-N
Mol Weight 349.43 g/mol
Molecular Formula C19H27NO5
Exact Mass 349.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pOD7SL9ZmL
Name Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.188922968 u
Formula C19H27NO5
InChI InChI=1S/C19H27NO5/c1-19(2,3)13-25-18(22)9-8-17(21)20-11-10-14-6-7-15(23-4)16(12-14)24-5/h6-9,12H,10-11,13H2,1-5H3,(H,20,21)/b9-8+
InChIKey FRRJGWIHBFHMAM-CMDGGOBGSA-N
Molecular Weight 349.427 g/mol
SMILES COC1=CC=C(C=C1OC)CCNC(\C=C\C(=O)OCC(C)(C)C)=O