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L-Proline, N-(4-butylbenzoyl)-, undecyl ester

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

L-Proline, N-(4-butylbenzoyl)-, undecyl ester
SpectraBase Compound ID DolDblw5J8V
InChI InChI=1S/C27H43NO3/c1-3-5-7-8-9-10-11-12-13-22-31-27(30)25-16-14-21-28(25)26(29)24-19-17-23(18-20-24)15-6-4-2/h17-20,25H,3-16,21-22H2,1-2H3
InChIKey FFUBZNJNVBTHQJ-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98HIsspXmvQ
Name L-Proline, N-(4-butylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.324294246 u
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-3-5-7-8-9-10-11-12-13-22-31-27(30)25-16-14-21-28(25)26(29)24-19-17-23(18-20-24)15-6-4-2/h17-20,25H,3-16,21-22H2,1-2H3
InChIKey FFUBZNJNVBTHQJ-UHFFFAOYSA-N
Molecular Weight 429.645 g/mol
SMILES C(CC1=CC=C(C=C1)C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)CC