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

*Links on SpectraBase are not permalinks.
ETHYL-3-(METHYLAMINO)-PROPANEDITHIOATE-TRIFLOROACETATE-SALT
SpectraBase Compound ID CPp3Q0rIcGH
InChI InChI=1S/C6H13NS2.C2HF3O2/c1-3-9-6(8)4-5-7-2;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3;(H,6,7)
InChIKey QOUMLBUCLJXCLY-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C8H14F3NO2S2
Exact Mass 277.041806 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 BfsWDzKiVwG
Name ETHYL-3-(METHYLAMINO)-PROPANEDITHIOATE-TRIFLOROACETATE-SALT
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H14F3NO2S2
InChI InChI=1S/C6H13NS2.C2HF3O2/c1-3-9-6(8)4-5-7-2;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3;(H,6,7)
InChIKey QOUMLBUCLJXCLY-UHFFFAOYSA-N
Literature Reference Author O.JOSSE,D.LABAR,B.GEORGES,V.GREGOIRE,J.M.BRYNAERT
Literature Reference Citation BIOORG.MED.CHEM.,9,665(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00279-0
Molecular Weight 277.320 g/mol
Solvent D2O
Source File Reference UWLU21827