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

View entire compound with spectra: 1 NMR

L-Leucyl-L-leucine, N-heptafluorobutyryl-, butyl ester
SpectraBase Compound ID 7yRL6gPUEvc
InChI InChI=1S/C20H31F7N2O4/c1-6-7-8-33-16(31)14(10-12(4)5)28-15(30)13(9-11(2)3)29-17(32)18(21,22)19(23,24)20(25,26)27/h11-14H,6-10H2,1-5H3,(H,28,30)(H,29,32)
InChIKey DTMOCWATVXEMBF-UHFFFAOYSA-N
Mol Weight 496.47 g/mol
Molecular Formula C20H31F7N2O4
Exact Mass 496.217205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSa9CRzJSqw
Name L-Leucyl-L-leucine, N-heptafluorobutyryl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.217204623 u
Formula C20H31F7N2O4
InChI InChI=1S/C20H31F7N2O4/c1-6-7-8-33-16(31)14(10-12(4)5)28-15(30)13(9-11(2)3)29-17(32)18(21,22)19(23,24)20(25,26)27/h11-14H,6-10H2,1-5H3,(H,28,30)(H,29,32)
InChIKey DTMOCWATVXEMBF-UHFFFAOYSA-N
Molecular Weight 496.467 g/mol
SMILES C(F)(C(C(C(NC(C(NC(C(OCCCC)=O)CC(C)C)=O)CC(C)C)=O)(F)F)(F)F)(F)F