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D-Prolyl-D-proline, N-neopentyloxycarbonyl-, pentyl ester

View entire compound with spectra: 1 NMR

D-Prolyl-D-proline, N-neopentyloxycarbonyl-, pentyl ester
SpectraBase Compound ID Gm3BMz0S5Sc
InChI InChI=1S/C21H36N2O5/c1-5-6-7-14-27-19(25)17-11-9-12-22(17)18(24)16-10-8-13-23(16)20(26)28-15-21(2,3)4/h16-17H,5-15H2,1-4H3
InChIKey NOLWKJJXJCITCM-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H36N2O5
Exact Mass 396.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID M22REsCtwD
Name D-Prolyl-D-proline, N-neopentyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.262422262 u
Formula C21H36N2O5
InChI InChI=1S/C21H36N2O5/c1-5-6-7-14-27-19(25)17-11-9-12-22(17)18(24)16-10-8-13-23(16)20(26)28-15-21(2,3)4/h16-17H,5-15H2,1-4H3
InChIKey NOLWKJJXJCITCM-UHFFFAOYSA-N
Molecular Weight 396.528 g/mol
SMILES C1(N(CCC1)C(C1N(CCC1)C(=O)OCC(C)(C)C)=O)C(OCCCCC)=O