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L-Methionine, N-pentafluoropropionyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-pentafluoropropionyl-, tetradecyl ester
SpectraBase Compound ID IerpVzg1hMm
InChI InChI=1S/C22H38F5NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-31-19(29)18(15-17-32-2)28-20(30)21(23,24)22(25,26)27/h18H,3-17H2,1-2H3,(H,28,30)
InChIKey DTTUCZXPUVFDOO-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C22H38F5NO3S
Exact Mass 491.249256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77UhNVhFc6p
Name L-Methionine, N-pentafluoropropionyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.249256074 u
Formula C22H38F5NO3S
InChI InChI=1S/C22H38F5NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-31-19(29)18(15-17-32-2)28-20(30)21(23,24)22(25,26)27/h18H,3-17H2,1-2H3,(H,28,30)
InChIKey DTTUCZXPUVFDOO-UHFFFAOYSA-N
Molecular Weight 491.602 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O