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

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, heptyl ester
SpectraBase Compound ID 71WZbQ91KFD
InChI InChI=1S/C23H37F7N2O4/c1-6-7-8-9-10-11-36-19(34)17(13-15(4)5)31-18(33)16(12-14(2)3)32-20(35)21(24,25)22(26,27)23(28,29)30/h14-17H,6-13H2,1-5H3,(H,31,33)(H,32,35)
InChIKey LYNWTMDLFQFACF-UHFFFAOYSA-N
Mol Weight 538.5 g/mol
Molecular Formula C23H37F7N2O4
Exact Mass 538.264155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Az4iodt0NyB
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.264154816 u
Formula C23H37F7N2O4
InChI InChI=1S/C23H37F7N2O4/c1-6-7-8-9-10-11-36-19(34)17(13-15(4)5)31-18(33)16(12-14(2)3)32-20(35)21(24,25)22(26,27)23(28,29)30/h14-17H,6-13H2,1-5H3,(H,31,33)(H,32,35)
InChIKey LYNWTMDLFQFACF-UHFFFAOYSA-N
Molecular Weight 538.548 g/mol
SMILES C(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(NC(CC(C)C)C(OCCCCCCC)=O)=O)C(C)C