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Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, heptyl ester
SpectraBase Compound ID AuigSKmt3QW
InChI InChI=1S/C18H24ClNO4/c1-3-4-5-6-7-12-24-18(22)11-10-17(21)20-15-13-14(19)8-9-16(15)23-2/h8-11,13H,3-7,12H2,1-2H3,(H,20,21)/b11-10+
InChIKey UUTRVARXAKXFCV-ZHACJKMWSA-N
Mol Weight 353.85 g/mol
Molecular Formula C18H24ClNO4
Exact Mass 353.139386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1YmowNyKQg
Name Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.139385953 u
Formula C18H24ClNO4
InChI InChI=1S/C18H24ClNO4/c1-3-4-5-6-7-12-24-18(22)11-10-17(21)20-15-13-14(19)8-9-16(15)23-2/h8-11,13H,3-7,12H2,1-2H3,(H,20,21)/b11-10+
InChIKey UUTRVARXAKXFCV-ZHACJKMWSA-N
Molecular Weight 353.846 g/mol
SMILES C(\C=C\C(NC1=CC(=CC=C1OC)Cl)=O)(OCCCCCCC)=O