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ethyl 1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-3-piperidinecarboxylate

View entire compound with spectra: 2 NMR

ethyl 1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-3-piperidinecarboxylate
SpectraBase Compound ID J5mbz1gSuPm
InChI InChI=1S/C18H21NO5/c1-2-22-18(21)14-4-3-9-19(11-14)17(20)8-6-13-5-7-15-16(10-13)24-12-23-15/h5-8,10,14H,2-4,9,11-12H2,1H3/b8-6+
InChIKey FASRWQLRUANQQV-SOFGYWHQSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eAx9gVIewu
Name Ethyl 1-[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]-3-piperidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 331.141972775 u
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-2-22-18(21)14-4-3-9-19(11-14)17(20)8-6-13-5-7-15-16(10-13)24-12-23-15/h5-8,10,14H,2-4,9,11-12H2,1H3/b8-6+
InChIKey FASRWQLRUANQQV-SOFGYWHQSA-N
Molecular Weight 331.368 g/mol
SMILES CCOC(C1CN(C(\C=C\C2=CC=3OCOC3C=C2)=O)CCC1)=O