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L-Methionine, N-heptafluorobutyryl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, heptadecyl ester
SpectraBase Compound ID HKntaAfslYs
InChI InChI=1S/C26H44F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-22(35)21(18-20-38-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h21H,3-20H2,1-2H3,(H,34,36)
InChIKey DYRIRNRDMTWMNS-UHFFFAOYSA-N
Mol Weight 583.7 g/mol
Molecular Formula C26H44F7NO3S
Exact Mass 583.293013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Jn6MNt8iH
Name L-Methionine, N-heptafluorobutyryl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 583.293012593 u
Formula C26H44F7NO3S
InChI InChI=1S/C26H44F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-37-22(35)21(18-20-38-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h21H,3-20H2,1-2H3,(H,34,36)
InChIKey DYRIRNRDMTWMNS-UHFFFAOYSA-N
Molecular Weight 583.691 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O