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L-Proline, N-(3-cyclopentylpropionyl)-, tetradecyl ester
SpectraBase Compound ID 1J0BOPmzqXj
InChI InChI=1S/C27H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-31-27(30)25-19-16-22-28(25)26(29)21-20-24-17-13-14-18-24/h24-25H,2-23H2,1H3
InChIKey KWWMLWWAFCZIJL-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C27H49NO3
Exact Mass 435.371244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OG9JzrOmpk
Name L-Proline, N-(3-cyclopentylpropionyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.371244439 u
Formula C27H49NO3
InChI InChI=1S/C27H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-31-27(30)25-19-16-22-28(25)26(29)21-20-24-17-13-14-18-24/h24-25H,2-23H2,1H3
InChIKey KWWMLWWAFCZIJL-UHFFFAOYSA-N
Molecular Weight 435.693 g/mol
SMILES C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)(=O)CCC1CCCC1