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L-Proline, N-isobutoxycarbonyl-, hexadecyl ester

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

L-Proline, N-isobutoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 8IgkTQtnrdV
InChI InChI=1S/C26H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(28)24-19-18-20-27(24)26(29)31-22-23(2)3/h23-24H,4-22H2,1-3H3
InChIKey FZFWYLRVYUKYGQ-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3PX8VcMrwz
Name L-Proline, N-isobutoxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(28)24-19-18-20-27(24)26(29)31-22-23(2)3/h23-24H,4-22H2,1-3H3
InChIKey FZFWYLRVYUKYGQ-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1(N(CCC1)C(=O)OCC(C)C)C(OCCCCCCCCCCCCCCCC)=O