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Pipecolylpipecolic acid, N-butoxycarbonyl-, nonyl ester
SpectraBase Compound ID HOOT3Uet54N
InChI InChI=1S/C26H46N2O5/c1-3-5-7-8-9-10-15-21-32-25(30)23-17-12-13-18-27(23)24(29)22-16-11-14-19-28(22)26(31)33-20-6-4-2/h22-23H,3-21H2,1-2H3
InChIKey BOCCIIIIHGJORI-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C26H46N2O5
Exact Mass 466.340673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhikRNHbBCc
Name Pipecolylpipecolic acid, N-butoxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.340672584 u
Formula C26H46N2O5
InChI InChI=1S/C26H46N2O5/c1-3-5-7-8-9-10-15-21-32-25(30)23-17-12-13-18-27(23)24(29)22-16-11-14-19-28(22)26(31)33-20-6-4-2/h22-23H,3-21H2,1-2H3
InChIKey BOCCIIIIHGJORI-UHFFFAOYSA-N
Molecular Weight 466.663 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCC)=O)C(C1CCCCN1C(OCCCC)=O)=O