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Ethyl 1-(2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)piperidine-4-carboxylate
SpectraBase Compound ID 1xrjVfffqvr
InChI InChI=1S/C20H26N2O6/c1-3-26-20(25)15-6-8-22(9-7-15)19(24)16(21-13(2)23)10-14-4-5-17-18(11-14)28-12-27-17/h4-5,11,15-16H,3,6-10,12H2,1-2H3,(H,21,23)
InChIKey CTUOWTPNJKDEDN-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C20H26N2O6
Exact Mass 390.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GC1we3Mo1xR
Name Ethyl 1-(2-acetamido-3-(benzo[D][1,3]dioxol-5-yl)propanoyl)piperidine-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 390.179086559 u
Formula C20H26N2O6
InChI InChI=1S/C20H26N2O6/c1-3-26-20(25)15-6-8-22(9-7-15)19(24)16(21-13(2)23)10-14-4-5-17-18(11-14)28-12-27-17/h4-5,11,15-16H,3,6-10,12H2,1-2H3,(H,21,23)
InChIKey CTUOWTPNJKDEDN-UHFFFAOYSA-N
Molecular Weight 390.436 g/mol
SMILES C1N(CCC(C1)C(=O)OCC)C(C(CC1=CC=C2OCOC2=C1)NC(C)=O)=O