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D-Proline, N-neopentyloxycarbonyl-, hexadecyl ester

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

D-Proline, N-neopentyloxycarbonyl-, hexadecyl ester
SpectraBase Compound ID JBITiPXVU9J
InChI InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-25(29)24-20-19-21-28(24)26(30)32-23-27(2,3)4/h24H,5-23H2,1-4H3
InChIKey OSLZXJPKWWOIFW-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C27H51NO4
Exact Mass 453.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2b6Xy6T6NkD
Name D-Proline, N-neopentyloxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-25(29)24-20-19-21-28(24)26(30)32-23-27(2,3)4/h24H,5-23H2,1-4H3
InChIKey OSLZXJPKWWOIFW-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES C1CN(C(OCC(C)(C)C)=O)C(C1)C(OCCCCCCCCCCCCCCCC)=O