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

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Proline, N-(2-methoxyethoxycarbonyl)-, heptadecyl ester
SpectraBase Compound ID Kk4zkrPyhVf
InChI InChI=1S/C26H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-25(28)24-19-18-20-27(24)26(29)32-23-22-30-2/h24H,3-23H2,1-2H3
InChIKey YUAGGRDWWBFSRL-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C26H49NO5
Exact Mass 455.361074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DAaJPmqEx2
Name L-Proline, N-(2-methoxyethoxycarbonyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.361073677 u
Formula C26H49NO5
InChI InChI=1S/C26H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-25(28)24-19-18-20-27(24)26(29)32-23-22-30-2/h24H,3-23H2,1-2H3
InChIKey YUAGGRDWWBFSRL-UHFFFAOYSA-N
Molecular Weight 455.680 g/mol
SMILES C1CN(C(OCCOC)=O)C(C1)C(OCCCCCCCCCCCCCCCCC)=O