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Pipecolylpipecolylpipecolic acid, N-ethoxycarbonyl-, ethyl ester
SpectraBase Compound ID L7lW3YhGaqC
InChI InChI=1S/C23H37N3O6/c1-3-31-22(29)19-13-7-9-15-25(19)20(27)17-11-5-8-14-24(17)21(28)18-12-6-10-16-26(18)23(30)32-4-2/h17-19H,3-16H2,1-2H3
InChIKey YCHSEONDDSZZSN-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C23H37N3O6
Exact Mass 451.268236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyVOCjhuONr
Name Pipecolylpipecolylpipecolic acid, N-ethoxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.268235917 u
Formula C23H37N3O6
InChI InChI=1S/C23H37N3O6/c1-3-31-22(29)19-13-7-9-15-25(19)20(27)17-11-5-8-14-24(17)21(28)18-12-6-10-16-26(18)23(30)32-4-2/h17-19H,3-16H2,1-2H3
InChIKey YCHSEONDDSZZSN-UHFFFAOYSA-N
Molecular Weight 451.564 g/mol
SMILES C1CCN(C(C1)C(OCC)=O)C(=O)C1N(CCCC1)C(=O)C1CCCCN1C(OCC)=O