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L-Methionine, N-heptafluorobutyryl-, isobutyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, isobutyl ester
SpectraBase Compound ID DgEekdutqLM
InChI InChI=1S/C13H18F7NO3S/c1-7(2)6-24-9(22)8(4-5-25-3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)
InChIKey YOFLPQABMWTVEW-UHFFFAOYSA-N
Mol Weight 401.34 g/mol
Molecular Formula C13H18F7NO3S
Exact Mass 401.089562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRQmcxBJi3M
Name L-Methionine, N-heptafluorobutyryl-, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.089561756 u
Formula C13H18F7NO3S
InChI InChI=1S/C13H18F7NO3S/c1-7(2)6-24-9(22)8(4-5-25-3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23)
InChIKey YOFLPQABMWTVEW-UHFFFAOYSA-N
Molecular Weight 401.340 g/mol
SMILES CSCCC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(OCC(C)C)=O