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L-Methionine, N-heptafluorobutyryl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, undecyl ester
SpectraBase Compound ID 59V2r8d7tE0
InChI InChI=1S/C20H32F7NO3S/c1-3-4-5-6-7-8-9-10-11-13-31-16(29)15(12-14-32-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h15H,3-14H2,1-2H3,(H,28,30)
InChIKey NFPQZRCTTDPSBW-UHFFFAOYSA-N
Mol Weight 499.5 g/mol
Molecular Formula C20H32F7NO3S
Exact Mass 499.199112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qLi4roF1ZI
Name L-Methionine, N-heptafluorobutyryl-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.199112206 u
Formula C20H32F7NO3S
InChI InChI=1S/C20H32F7NO3S/c1-3-4-5-6-7-8-9-10-11-13-31-16(29)15(12-14-32-2)28-17(30)18(21,22)19(23,24)20(25,26)27/h15H,3-14H2,1-2H3,(H,28,30)
InChIKey NFPQZRCTTDPSBW-UHFFFAOYSA-N
Molecular Weight 499.529 g/mol
SMILES CCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O