For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Pipecolylpipecolylpipecolic acid, N-isobutoxycarbonyl-, isobutyl ester

View entire compound with spectra: 1 NMR

Pipecolylpipecolylpipecolic acid, N-isobutoxycarbonyl-, isobutyl ester
SpectraBase Compound ID 6zq9tZ14gp9
InChI InChI=1S/C27H45N3O6/c1-19(2)17-35-26(33)23-13-7-9-15-29(23)24(31)21-11-5-8-14-28(21)25(32)22-12-6-10-16-30(22)27(34)36-18-20(3)4/h19-23H,5-18H2,1-4H3
InChIKey GTPSLLBYSHILFN-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C27H45N3O6
Exact Mass 507.330836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2w4XBd3NDFs
Name Pipecolylpipecolylpipecolic acid, N-isobutoxycarbonyl-, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.330836175 u
Formula C27H45N3O6
InChI InChI=1S/C27H45N3O6/c1-19(2)17-35-26(33)23-13-7-9-15-29(23)24(31)21-11-5-8-14-28(21)25(32)22-12-6-10-16-30(22)27(34)36-18-20(3)4/h19-23H,5-18H2,1-4H3
InChIKey GTPSLLBYSHILFN-UHFFFAOYSA-N
Molecular Weight 507.672 g/mol
SMILES C1CCN(C(C1)C(OCC(C)C)=O)C(=O)C1N(CCCC1)C(=O)C1CCCCN1C(OCC(C)C)=O