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L-Methionine, N-heptafluorobutyryl-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, isohexyl ester
SpectraBase Compound ID 4B2LIENQNYy
InChI InChI=1S/C15H22F7NO3S/c1-9(2)5-4-7-26-11(24)10(6-8-27-3)23-12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3,(H,23,25)
InChIKey PPYXFSQWZOAGNC-UHFFFAOYSA-N
Mol Weight 429.39 g/mol
Molecular Formula C15H22F7NO3S
Exact Mass 429.120862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2XPvTK6mIz
Name L-Methionine, N-heptafluorobutyryl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.120861884 u
Formula C15H22F7NO3S
InChI InChI=1S/C15H22F7NO3S/c1-9(2)5-4-7-26-11(24)10(6-8-27-3)23-12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3,(H,23,25)
InChIKey PPYXFSQWZOAGNC-UHFFFAOYSA-N
Molecular Weight 429.394 g/mol
SMILES CSCCC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(OCCCC(C)C)=O