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L-Leucine, N-(2,6-difluorobenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2,6-difluorobenzoyl)-, dodecyl ester
SpectraBase Compound ID JXdRCEnYTCd
InChI InChI=1S/C25H39F2NO3/c1-4-5-6-7-8-9-10-11-12-13-17-31-25(30)22(18-19(2)3)28-24(29)23-20(26)15-14-16-21(23)27/h14-16,19,22H,4-13,17-18H2,1-3H3,(H,28,29)
InChIKey QYJGYSBIDBIBIN-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C25H39F2NO3
Exact Mass 439.2898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEYFcH46TlN
Name L-Leucine, N-(2,6-difluorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.289800443 u
Formula C25H39F2NO3
InChI InChI=1S/C25H39F2NO3/c1-4-5-6-7-8-9-10-11-12-13-17-31-25(30)22(18-19(2)3)28-24(29)23-20(26)15-14-16-21(23)27/h14-16,19,22H,4-13,17-18H2,1-3H3,(H,28,29)
InChIKey QYJGYSBIDBIBIN-UHFFFAOYSA-N
Molecular Weight 439.588 g/mol
SMILES C1(=CC=CC(=C1C(NC(C(OCCCCCCCCCCCC)=O)CC(C)C)=O)F)F