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L-Methionyl-L-methionine, N-heptafluorobutyryl-, decyl ester
SpectraBase Compound ID CjywNk8ZZzR
InChI InChI=1S/C24H39F7N2O4S2/c1-4-5-6-7-8-9-10-11-14-37-20(35)18(13-16-39-3)32-19(34)17(12-15-38-2)33-21(36)22(25,26)23(27,28)24(29,30)31/h17-18H,4-16H2,1-3H3,(H,32,34)(H,33,36)
InChIKey FYPVBUFZIFMFLO-UHFFFAOYSA-N
Mol Weight 616.7 g/mol
Molecular Formula C24H39F7N2O4S2
Exact Mass 616.223947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDj9vQqNBU5
Name L-Methionyl-L-methionine, N-heptafluorobutyryl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 616.223947229 u
Formula C24H39F7N2O4S2
InChI InChI=1S/C24H39F7N2O4S2/c1-4-5-6-7-8-9-10-11-14-37-20(35)18(13-16-39-3)32-19(34)17(12-15-38-2)33-21(36)22(25,26)23(27,28)24(29,30)31/h17-18H,4-16H2,1-3H3,(H,32,34)(H,33,36)
InChIKey FYPVBUFZIFMFLO-UHFFFAOYSA-N
Molecular Weight 616.695 g/mol
SMILES C(NC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCSC)=O)(C(OCCCCCCCCCC)=O)CCSC