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

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, heptadecyl ester
SpectraBase Compound ID 85KGQsvl6up
InChI InChI=1S/C33H57F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-46-29(44)27(23-25(4)5)41-28(43)26(22-24(2)3)42-30(45)31(34,35)32(36,37)33(38,39)40/h24-27H,6-23H2,1-5H3,(H,41,43)(H,42,45)
InChIKey PGLNZASMEFPBFU-UHFFFAOYSA-N
Mol Weight 678.8 g/mol
Molecular Formula C33H57F7N2O4
Exact Mass 678.420655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jgWuBHdsaG
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 678.420655460 u
Formula C33H57F7N2O4
InChI InChI=1S/C33H57F7N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-46-29(44)27(23-25(4)5)41-28(43)26(22-24(2)3)42-30(45)31(34,35)32(36,37)33(38,39)40/h24-27H,6-23H2,1-5H3,(H,41,43)(H,42,45)
InChIKey PGLNZASMEFPBFU-UHFFFAOYSA-N
Molecular Weight 678.818 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O)CC(C)C)=O