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L-Proline, N-(3-phenylpropionyl)-, pentadecyl ester

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L-Proline, N-(3-phenylpropionyl)-, pentadecyl ester
SpectraBase Compound ID LIIcwkpARQi
InChI InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-33-29(32)27-21-18-24-30(27)28(31)23-22-26-19-15-14-16-20-26/h14-16,19-20,27H,2-13,17-18,21-25H2,1H3
InChIKey CTPALQHPNYXGJH-UHFFFAOYSA-N
Mol Weight 457.7 g/mol
Molecular Formula C29H47NO3
Exact Mass 457.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TQpBU7uG8G
Name L-Proline, N-(3-phenylpropionyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.355594374 u
Formula C29H47NO3
InChI InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-33-29(32)27-21-18-24-30(27)28(31)23-22-26-19-15-14-16-20-26/h14-16,19-20,27H,2-13,17-18,21-25H2,1H3
InChIKey CTPALQHPNYXGJH-UHFFFAOYSA-N
Molecular Weight 457.699 g/mol
SMILES C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O