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D-Proline, N-neopentyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID 5VZtZfxAE4V
InChI InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-29-23(27)22-18-17-19-26(22)24(28)30-21-25(2,3)4/h22H,5-21H2,1-4H3
InChIKey WFUJOCMXOIZBGX-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C25H47NO4
Exact Mass 425.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ai9hOsDr3d
Name D-Proline, N-neopentyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.350508993 u
Formula C25H47NO4
InChI InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-29-23(27)22-18-17-19-26(22)24(28)30-21-25(2,3)4/h22H,5-21H2,1-4H3
InChIKey WFUJOCMXOIZBGX-UHFFFAOYSA-N
Molecular Weight 425.654 g/mol
SMILES C1CN(C(OCC(C)(C)C)=O)C(C1)C(OCCCCCCCCCCCCCC)=O