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L-Methionine, N-heptafluorobutyryl-, nonyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, nonyl ester
SpectraBase Compound ID 7WqfqvuwBwj
InChI InChI=1S/C18H28F7NO3S/c1-3-4-5-6-7-8-9-11-29-14(27)13(10-12-30-2)26-15(28)16(19,20)17(21,22)18(23,24)25/h13H,3-12H2,1-2H3,(H,26,28)
InChIKey CHOCDBCSBUQJFU-UHFFFAOYSA-N
Mol Weight 471.47 g/mol
Molecular Formula C18H28F7NO3S
Exact Mass 471.167812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WpX4ykwtTt
Name L-Methionine, N-heptafluorobutyryl-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.167812078 u
Formula C18H28F7NO3S
InChI InChI=1S/C18H28F7NO3S/c1-3-4-5-6-7-8-9-11-29-14(27)13(10-12-30-2)26-15(28)16(19,20)17(21,22)18(23,24)25/h13H,3-12H2,1-2H3,(H,26,28)
InChIKey CHOCDBCSBUQJFU-UHFFFAOYSA-N
Molecular Weight 471.475 g/mol
SMILES CCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O