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

*Links on SpectraBase are not permalinks.

dl-Ethionine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester

View entire compound with spectra: 1 NMR

dl-Ethionine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID BZBJOIOAYRE
InChI InChI=1S/C11H14F7NO3S/c1-2-23-4-3-6(19-9(21)11(16,17)18)7(20)22-5-10(14,15)8(12)13/h6,8H,2-5H2,1H3,(H,19,21)
InChIKey CVGWYZOWTLBSPM-UHFFFAOYSA-N
Mol Weight 373.29 g/mol
Molecular Formula C11H14F7NO3S
Exact Mass 373.058262 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 CxzNlMLP1GI
Name dl-Ethionine, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.058261627 u
Formula C11H14F7NO3S
InChI InChI=1S/C11H14F7NO3S/c1-2-23-4-3-6(19-9(21)11(16,17)18)7(20)22-5-10(14,15)8(12)13/h6,8H,2-5H2,1H3,(H,19,21)
InChIKey CVGWYZOWTLBSPM-UHFFFAOYSA-N
Molecular Weight 373.286 g/mol
SMILES CCSCCC(C(OCC(C(F)F)(F)F)=O)NC(C(F)(F)F)=O