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[1-(3,4,5-Trimethoxybenzoyl)piperidin-4-yl]acetic acid
SpectraBase Compound ID 9BSgoLlFBiM
InChI InChI=1S/C17H23NO6/c1-22-13-9-12(10-14(23-2)16(13)24-3)17(21)18-6-4-11(5-7-18)8-15(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)
InChIKey MFELEQGPYKOJMK-UHFFFAOYSA-N
Mol Weight 337.37 g/mol
Molecular Formula C17H23NO6
Exact Mass 337.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Gobd5USgkx
Name [1-(3,4,5-Trimethoxybenzoyl)piperidin-4-yl]acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 337.152537459 u
Formula C17H23NO6
InChI InChI=1S/C17H23NO6/c1-22-13-9-12(10-14(23-2)16(13)24-3)17(21)18-6-4-11(5-7-18)8-15(19)20/h9-11H,4-8H2,1-3H3,(H,19,20)
InChIKey MFELEQGPYKOJMK-UHFFFAOYSA-N
Molecular Weight 337.372 g/mol
SMILES C(C1=CC(=C(C(OC)=C1)OC)OC)(=O)N1CCC(CC(O)=O)CC1