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

View entire compound with spectra: 1 NMR

L-Proline, N-(furoyl-2)-, heptadecyl ester
SpectraBase Compound ID 8BahGq3NsmN
InChI InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-27(30)24-19-17-21-28(24)26(29)25-20-18-23-31-25/h18,20,23-24H,2-17,19,21-22H2,1H3
InChIKey QTRNVKDNBOOFCN-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fD660Zc4GK
Name L-Proline, N-(furoyl-2)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-27(30)24-19-17-21-28(24)26(29)25-20-18-23-31-25/h18,20,23-24H,2-17,19,21-22H2,1H3
InChIKey QTRNVKDNBOOFCN-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES C=1(OC=CC1)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O