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L-Proline, N-(4-fluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(4-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 6kFvOtlSJQO
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-34-29(33)27-18-17-23-31(27)28(32)25-19-21-26(30)22-20-25/h19-22,27H,2-18,23-24H2,1H3
InChIKey VWYPKQRJNVMGII-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 2bsz0mHeLtW
Name L-Proline, N-(4-fluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.346172505 u
Formula C29H46FNO3
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-34-29(33)27-18-17-23-31(27)28(32)25-19-21-26(30)22-20-25/h19-22,27H,2-18,23-24H2,1H3
InChIKey VWYPKQRJNVMGII-UHFFFAOYSA-N
Molecular Weight 475.689 g/mol
SMILES C1C(N(C(=O)C2=CC=C(C=C2)F)CC1)C(=O)OCCCCCCCCCCCCCCCCC