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Diethyl 2-(2-bromo-N-(4-methoxyphenyl)butanamido)malonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 2-(2-bromo-N-(4-methoxyphenyl)butanamido)malonate
SpectraBase Compound ID HzesZio4DXT
InChI InChI=1S/C18H24BrNO6/c1-5-14(19)16(21)20(12-8-10-13(24-4)11-9-12)15(17(22)25-6-2)18(23)26-7-3/h8-11,14-15H,5-7H2,1-4H3
InChIKey AMZAHPGNDSJGLW-UHFFFAOYSA-N
Mol Weight 430.3 g/mol
Molecular Formula C18H24BrNO6
Exact Mass 429.0787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35TemtyVh1P
Name Diethyl 2-(2-bromo-N-(4-methoxyphenyl)butanamido)malonate
Comments Computed using HOSE algorithm
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Exact Mass 429.078700491 u
Formula C18H24BrNO6
InChI InChI=1S/C18H24BrNO6/c1-5-14(19)16(21)20(12-8-10-13(24-4)11-9-12)15(17(22)25-6-2)18(23)26-7-3/h8-11,14-15H,5-7H2,1-4H3
InChIKey AMZAHPGNDSJGLW-UHFFFAOYSA-N
Molecular Weight 430.295 g/mol
SMILES C(C(C(=O)OCC)N(C(C(CC)Br)=O)C1=CC=C(C=C1)OC)(=O)OCC