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

View entire compound with spectra: 1 NMR

D-Prolyl-D-proline, N-neopentyloxycarbonyl-, neopentyl ester
SpectraBase Compound ID 5SBhaRirb0f
InChI InChI=1S/C21H36N2O5/c1-20(2,3)13-27-18(25)16-10-8-11-22(16)17(24)15-9-7-12-23(15)19(26)28-14-21(4,5)6/h15-16H,7-14H2,1-6H3
InChIKey AJCMZHWRRYOZGP-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 EmDpm9aIYcW
Name D-Prolyl-D-proline, N-neopentyloxycarbonyl-, neopentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.262422262 u
Formula C21H36N2O5
InChI InChI=1S/C21H36N2O5/c1-20(2,3)13-27-18(25)16-10-8-11-22(16)17(24)15-9-7-12-23(15)19(26)28-14-21(4,5)6/h15-16H,7-14H2,1-6H3
InChIKey AJCMZHWRRYOZGP-UHFFFAOYSA-N
Molecular Weight 396.528 g/mol
SMILES C1(N(C(C2N(C(=O)OCC(C)(C)C)CCC2)=O)CCC1)C(OCC(C)(C)C)=O