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D-Proline, N-(2-chloroethoxycarbonyl)-, heptadecyl ester

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

D-Proline, N-(2-chloroethoxycarbonyl)-, heptadecyl ester
SpectraBase Compound ID BLUUdbkuUYl
InChI InChI=1S/C25H46ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24(28)23-18-17-20-27(23)25(29)31-22-19-26/h23H,2-22H2,1H3
InChIKey JAZBXVLRKQJXGW-UHFFFAOYSA-N
Mol Weight 460.1 g/mol
Molecular Formula C25H46ClNO4
Exact Mass 459.311537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KanVdmF1ODu
Name D-Proline, N-(2-chloroethoxycarbonyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.311536661 u
Formula C25H46ClNO4
InChI InChI=1S/C25H46ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24(28)23-18-17-20-27(23)25(29)31-22-19-26/h23H,2-22H2,1H3
InChIKey JAZBXVLRKQJXGW-UHFFFAOYSA-N
Molecular Weight 460.099 g/mol
SMILES C1CCC(N1C(=O)OCCCl)C(=O)OCCCCCCCCCCCCCCCCC