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3-Benzofurancarboxylic acid, 5-methoxy-2-[(4-methyl-1-piperidinyl)methyl]-, ethyl ester
SpectraBase Compound ID 30cO2h3xpqS
InChI InChI=1S/C19H25NO4/c1-4-23-19(21)18-15-11-14(22-3)5-6-16(15)24-17(18)12-20-9-7-13(2)8-10-20/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKey GFUXOVBMILUFAI-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YDjLQdeHct
Name 3-Benzofurancarboxylic acid, 5-methoxy-2-[(4-methyl-1-piperidinyl)methyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.178358285 u
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-4-23-19(21)18-15-11-14(22-3)5-6-16(15)24-17(18)12-20-9-7-13(2)8-10-20/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKey GFUXOVBMILUFAI-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES C1(=C(OC2=C1C=C(OC)C=C2)CN1CCC(C)CC1)C(=O)OCC