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L-Methionine, N-heptafluorobutyryl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, tetradecyl ester
SpectraBase Compound ID ErVpkcJNGyH
InChI InChI=1S/C23H38F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-34-19(32)18(15-17-35-2)31-20(33)21(24,25)22(26,27)23(28,29)30/h18H,3-17H2,1-2H3,(H,31,33)
InChIKey YQPKMJSNXAVJSX-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C23H38F7NO3S
Exact Mass 541.246062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQTlq6xfTfE
Name L-Methionine, N-heptafluorobutyryl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 541.246062400 u
Formula C23H38F7NO3S
InChI InChI=1S/C23H38F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-34-19(32)18(15-17-35-2)31-20(33)21(24,25)22(26,27)23(28,29)30/h18H,3-17H2,1-2H3,(H,31,33)
InChIKey YQPKMJSNXAVJSX-UHFFFAOYSA-N
Molecular Weight 541.610 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O