For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

L-Methionine, N-heptafluorobutyryl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Methionine, N-heptafluorobutyryl-, octadecyl ester
SpectraBase Compound ID H6aVMOSqJiT
InChI InChI=1S/C27H46F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-38-23(36)22(19-21-39-2)35-24(37)25(28,29)26(30,31)27(32,33)34/h22H,3-21H2,1-2H3,(H,35,37)
InChIKey JCPJZQWZKJKSCL-UHFFFAOYSA-N
Mol Weight 597.7 g/mol
Molecular Formula C27H46F7NO3S
Exact Mass 597.308663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DbeSG9WDaYG
Name L-Methionine, N-heptafluorobutyryl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.308662657 u
Formula C27H46F7NO3S
InChI InChI=1S/C27H46F7NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-38-23(36)22(19-21-39-2)35-24(37)25(28,29)26(30,31)27(32,33)34/h22H,3-21H2,1-2H3,(H,35,37)
InChIKey JCPJZQWZKJKSCL-UHFFFAOYSA-N
Molecular Weight 597.718 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O