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Pipecolylpipecolylpipecolic acid, N-propoxycarbonyl-, propyl ester
SpectraBase Compound ID 9JoFWjxji7e
InChI InChI=1S/C25H41N3O6/c1-3-17-33-24(31)21-13-7-9-15-27(21)22(29)19-11-5-8-14-26(19)23(30)20-12-6-10-16-28(20)25(32)34-18-4-2/h19-21H,3-18H2,1-2H3
InChIKey WJMGOEWMEZRHOS-UHFFFAOYSA-N
Mol Weight 479.6 g/mol
Molecular Formula C25H41N3O6
Exact Mass 479.299536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmdCRiyt2nQ
Name Pipecolylpipecolylpipecolic acid, N-propoxycarbonyl-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.299536046 u
Formula C25H41N3O6
InChI InChI=1S/C25H41N3O6/c1-3-17-33-24(31)21-13-7-9-15-27(21)22(29)19-11-5-8-14-26(19)23(30)20-12-6-10-16-28(20)25(32)34-18-4-2/h19-21H,3-18H2,1-2H3
InChIKey WJMGOEWMEZRHOS-UHFFFAOYSA-N
Molecular Weight 479.618 g/mol
SMILES C1CCN(C(C1)C(OCCC)=O)C(=O)C1N(CCCC1)C(=O)C1CCCCN1C(OCCC)=O