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L-Proline, N-(furoyl-2)-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(furoyl-2)-, octadecyl ester
SpectraBase Compound ID C5nXBBque90
InChI InChI=1S/C28H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-28(31)25-20-18-22-29(25)27(30)26-21-19-24-32-26/h19,21,24-25H,2-18,20,22-23H2,1H3
InChIKey BBQCOCCVKDGWJR-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H47NO4
Exact Mass 461.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlEFiBcBls
Name L-Proline, N-(furoyl-2)-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.350508993 u
Formula C28H47NO4
InChI InChI=1S/C28H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-33-28(31)25-20-18-22-29(25)27(30)26-21-19-24-32-26/h19,21,24-25H,2-18,20,22-23H2,1H3
InChIKey BBQCOCCVKDGWJR-UHFFFAOYSA-N
Molecular Weight 461.687 g/mol
SMILES C=1(OC=CC1)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O