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L-Proline, N-(3-fluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID H2en4zdClrX
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-29(33)27-21-18-22-31(27)28(32)25-19-17-20-26(30)24-25/h17,19-20,24,27H,2-16,18,21-23H2,1H3
InChIKey GJVKMXUCWOGRPB-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 3FhiA4RNSHU
Name L-Proline, N-(3-fluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.346172505 u
Formula C29H46FNO3
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-29(33)27-21-18-22-31(27)28(32)25-19-17-20-26(30)24-25/h17,19-20,24,27H,2-16,18,21-23H2,1H3
InChIKey GJVKMXUCWOGRPB-UHFFFAOYSA-N
Molecular Weight 475.689 g/mol
SMILES C1(=CC(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O