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L-Methionyl-L-methionine, N-pentafluoropropionyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Methionyl-L-methionine, N-pentafluoropropionyl-, decyl ester
SpectraBase Compound ID ABtHRYmu4Rr
InChI InChI=1S/C23H39F5N2O4S2/c1-4-5-6-7-8-9-10-11-14-34-20(32)18(13-16-36-3)29-19(31)17(12-15-35-2)30-21(33)22(24,25)23(26,27)28/h17-18H,4-16H2,1-3H3,(H,29,31)(H,30,33)
InChIKey LFTAYGMMZLSSIQ-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C23H39F5N2O4S2
Exact Mass 566.227141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXJRVkmHmFD
Name L-Methionyl-L-methionine, N-pentafluoropropionyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.227140903 u
Formula C23H39F5N2O4S2
InChI InChI=1S/C23H39F5N2O4S2/c1-4-5-6-7-8-9-10-11-14-34-20(32)18(13-16-36-3)29-19(31)17(12-15-35-2)30-21(33)22(24,25)23(26,27)28/h17-18H,4-16H2,1-3H3,(H,29,31)(H,30,33)
InChIKey LFTAYGMMZLSSIQ-UHFFFAOYSA-N
Molecular Weight 566.687 g/mol
SMILES C(C(NC(C(NC(=O)C(C(F)(F)F)(F)F)CCSC)=O)CCSC)(OCCCCCCCCCC)=O