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L-Proline, N-(2-methoxyethoxycarbonyl)-, hexadecyl ester

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L-Proline, N-(2-methoxyethoxycarbonyl)-, hexadecyl ester
SpectraBase Compound ID 8CU5GnGGuIF
InChI InChI=1S/C25H47NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24(27)23-18-17-19-26(23)25(28)31-22-21-29-2/h23H,3-22H2,1-2H3
InChIKey BXOCZEJZZUOKDK-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C25H47NO5
Exact Mass 441.345424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ja2YHIvGAq
Name L-Proline, N-(2-methoxyethoxycarbonyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.345423612 u
Formula C25H47NO5
InChI InChI=1S/C25H47NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24(27)23-18-17-19-26(23)25(28)31-22-21-29-2/h23H,3-22H2,1-2H3
InChIKey BXOCZEJZZUOKDK-UHFFFAOYSA-N
Molecular Weight 441.653 g/mol
SMILES C1CN(C(OCCOC)=O)C(C1)C(OCCCCCCCCCCCCCCCC)=O