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L-Leucyl-L-leucine, N-heptafluorobutyryl-, nonyl ester

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L-Leucyl-L-leucine, N-heptafluorobutyryl-, nonyl ester
SpectraBase Compound ID KE662LVu8lb
InChI InChI=1S/C25H41F7N2O4/c1-6-7-8-9-10-11-12-13-38-21(36)19(15-17(4)5)33-20(35)18(14-16(2)3)34-22(37)23(26,27)24(28,29)25(30,31)32/h16-19H,6-15H2,1-5H3,(H,33,35)(H,34,37)
InChIKey VWLROHFRQYPISR-UHFFFAOYSA-N
Mol Weight 566.6 g/mol
Molecular Formula C25H41F7N2O4
Exact Mass 566.295455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BA5yFOS3aKq
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.295454945 u
Formula C25H41F7N2O4
InChI InChI=1S/C25H41F7N2O4/c1-6-7-8-9-10-11-12-13-38-21(36)19(15-17(4)5)33-20(35)18(14-16(2)3)34-22(37)23(26,27)24(28,29)25(30,31)32/h16-19H,6-15H2,1-5H3,(H,33,35)(H,34,37)
InChIKey VWLROHFRQYPISR-UHFFFAOYSA-N
Molecular Weight 566.602 g/mol
SMILES CCCCCCCCCOC(C(CC(C)C)NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O)=O