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L-Proline, N-(3-cyclopentylpropionyl)-, hexadecyl ester

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L-Proline, N-(3-cyclopentylpropionyl)-, hexadecyl ester
SpectraBase Compound ID 7mnzUtD8eE7
InChI InChI=1S/C29H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-33-29(32)27-21-18-24-30(27)28(31)23-22-26-19-15-16-20-26/h26-27H,2-25H2,1H3
InChIKey DOHQSINQGCSIFM-UHFFFAOYSA-N
Mol Weight 463.7 g/mol
Molecular Formula C29H53NO3
Exact Mass 463.402545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cgy9tyzNrET
Name L-Proline, N-(3-cyclopentylpropionyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.402544568 u
Formula C29H53NO3
InChI InChI=1S/C29H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-33-29(32)27-21-18-24-30(27)28(31)23-22-26-19-15-16-20-26/h26-27H,2-25H2,1H3
InChIKey DOHQSINQGCSIFM-UHFFFAOYSA-N
Molecular Weight 463.747 g/mol
SMILES C1(CCCC1)CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O