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D-Prolyl-D-proline, N-neopentyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID 6kmVnjiX3BW
InChI InChI=1S/C22H38N2O5/c1-16(2)9-8-14-28-20(26)18-11-7-12-23(18)19(25)17-10-6-13-24(17)21(27)29-15-22(3,4)5/h16-18H,6-15H2,1-5H3
InChIKey GUKYEQPWYQLAOD-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38N2O5
Exact Mass 410.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHrSDPOBLK
Name D-Prolyl-D-proline, N-neopentyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.278072327 u
Formula C22H38N2O5
InChI InChI=1S/C22H38N2O5/c1-16(2)9-8-14-28-20(26)18-11-7-12-23(18)19(25)17-10-6-13-24(17)21(27)29-15-22(3,4)5/h16-18H,6-15H2,1-5H3
InChIKey GUKYEQPWYQLAOD-UHFFFAOYSA-N
Molecular Weight 410.555 g/mol
SMILES C1(N(CCC1)C(C1N(CCC1)C(=O)OCC(C)(C)C)=O)C(OCCCC(C)C)=O