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

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L-Proline, N-(3-phenylpropionyl)-, tetradecyl ester
SpectraBase Compound ID CxF7b0ifILi
InChI InChI=1S/C28H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-32-28(31)26-20-17-23-29(26)27(30)22-21-25-18-14-13-15-19-25/h13-15,18-19,26H,2-12,16-17,20-24H2,1H3
InChIKey CVKRVHWKLXDNBZ-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C28H45NO3
Exact Mass 443.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FT43BHtx2
Name L-Proline, N-(3-phenylpropionyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.339944310 u
Formula C28H45NO3
InChI InChI=1S/C28H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-32-28(31)26-20-17-23-29(26)27(30)22-21-25-18-14-13-15-19-25/h13-15,18-19,26H,2-12,16-17,20-24H2,1H3
InChIKey CVKRVHWKLXDNBZ-UHFFFAOYSA-N
Molecular Weight 443.672 g/mol
SMILES C1=C(C=CC=C1)CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O