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L-Proline, N-(3,4-difluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3,4-difluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID KHkMGMPl8nD
InChI InChI=1S/C29H45F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-35-29(34)27-18-17-21-32(27)28(33)24-19-20-25(30)26(31)23-24/h19-20,23,27H,2-18,21-22H2,1H3
InChIKey PQEWPTQMJSWZAW-UHFFFAOYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C29H45F2NO3
Exact Mass 493.336751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iwzWhgvtul
Name L-Proline, N-(3,4-difluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.336750636 u
Formula C29H45F2NO3
InChI InChI=1S/C29H45F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-35-29(34)27-18-17-21-32(27)28(33)24-19-20-25(30)26(31)23-24/h19-20,23,27H,2-18,21-22H2,1H3
InChIKey PQEWPTQMJSWZAW-UHFFFAOYSA-N
Molecular Weight 493.680 g/mol
SMILES C1(=CC(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O)F