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L-Methionine, N-heptafluorobutyryl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, pentadecyl ester
SpectraBase Compound ID HW8l8E66zas
InChI InChI=1S/C24H40F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-35-20(33)19(16-18-36-2)32-21(34)22(25,26)23(27,28)24(29,30)31/h19H,3-18H2,1-2H3,(H,32,34)
InChIKey DGPJRLNCMSOIIK-UHFFFAOYSA-N
Mol Weight 555.6 g/mol
Molecular Formula C24H40F7NO3S
Exact Mass 555.261712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1QkeGB7FVcN
Name L-Methionine, N-heptafluorobutyryl-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.261712464 u
Formula C24H40F7NO3S
InChI InChI=1S/C24H40F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-35-20(33)19(16-18-36-2)32-21(34)22(25,26)23(27,28)24(29,30)31/h19H,3-18H2,1-2H3,(H,32,34)
InChIKey DGPJRLNCMSOIIK-UHFFFAOYSA-N
Molecular Weight 555.637 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O