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L-Proline, N-(2-fluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID C8A5Y3SpEMa
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-34-29(33)27-22-19-23-31(27)28(32)25-20-16-17-21-26(25)30/h16-17,20-21,27H,2-15,18-19,22-24H2,1H3
InChIKey XTCDWSLLOPXBJX-UHFFFAOYSA-N
Mol Weight 475.7 g/mol
Molecular Formula C29H46FNO3
Exact Mass 475.346173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4vooeFGqrA
Name L-Proline, N-(2-fluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.346172505 u
Formula C29H46FNO3
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-34-29(33)27-22-19-23-31(27)28(32)25-20-16-17-21-26(25)30/h16-17,20-21,27H,2-15,18-19,22-24H2,1H3
InChIKey XTCDWSLLOPXBJX-UHFFFAOYSA-N
Molecular Weight 475.689 g/mol
SMILES C1(=C(C=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O