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L-Methionyl-L-methionine, N-heptafluorobutyryl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Methionyl-L-methionine, N-heptafluorobutyryl-, undecyl ester
SpectraBase Compound ID 8zGMayPCCyf
InChI InChI=1S/C25H41F7N2O4S2/c1-4-5-6-7-8-9-10-11-12-15-38-21(36)19(14-17-40-3)33-20(35)18(13-16-39-2)34-22(37)23(26,27)24(28,29)25(30,31)32/h18-19H,4-17H2,1-3H3,(H,33,35)(H,34,37)
InChIKey OHOLWNKGDATBJR-UHFFFAOYSA-N
Mol Weight 630.7 g/mol
Molecular Formula C25H41F7N2O4S2
Exact Mass 630.239597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yo38zqpB60
Name L-Methionyl-L-methionine, N-heptafluorobutyryl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 630.239597293 u
Formula C25H41F7N2O4S2
InChI InChI=1S/C25H41F7N2O4S2/c1-4-5-6-7-8-9-10-11-12-15-38-21(36)19(14-17-40-3)33-20(35)18(13-16-39-2)34-22(37)23(26,27)24(28,29)25(30,31)32/h18-19H,4-17H2,1-3H3,(H,33,35)(H,34,37)
InChIKey OHOLWNKGDATBJR-UHFFFAOYSA-N
Molecular Weight 630.722 g/mol
SMILES C(NC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCSC)=O)(C(OCCCCCCCCCCC)=O)CCSC