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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, decyl ester

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L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, decyl ester
SpectraBase Compound ID WU8JIBTwFm
InChI InChI=1S/C25H34F15NO3/c1-5-6-7-8-9-10-11-12-13-44-17(42)16(14-15(2)3)41(4)18(43)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h15-16H,5-14H2,1-4H3
InChIKey PWYQKMJHMNQSCP-UHFFFAOYSA-N
Mol Weight 681.5 g/mol
Molecular Formula C25H34F15NO3
Exact Mass 681.229916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuEzJwU9rn4
Name L-Leucine, N-methyl-N-pentadecafluorocarbonyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 681.229916401 u
Formula C25H34F15NO3
InChI InChI=1S/C25H34F15NO3/c1-5-6-7-8-9-10-11-12-13-44-17(42)16(14-15(2)3)41(4)18(43)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h15-16H,5-14H2,1-4H3
InChIKey PWYQKMJHMNQSCP-UHFFFAOYSA-N
Molecular Weight 681.527 g/mol
SMILES CCCCCCCCCCOC(C(N(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)C)CC(C)C)=O