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

*Links on SpectraBase are not permalinks.

-(E)-7-Hydroxy-4,4-(trimethylenedithio)-2-octenoic acid, 2,2,2-trichloroethyl ester

View entire compound with spectra: 1 NMR

-(E)-7-Hydroxy-4,4-(trimethylenedithio)-2-octenoic acid, 2,2,2-trichloroethyl ester
SpectraBase Compound ID KlthXAzz80t
InChI InChI=1S/C13H19Cl3O3S2/c1-10(17)3-5-12(20-7-2-8-21-12)6-4-11(18)19-9-13(14,15)16/h4,6,10,17H,2-3,5,7-9H2,1H3/b6-4+
InChIKey LMFGKAREJJFLIY-GQCTYLIASA-N
Mol Weight 393.77 g/mol
Molecular Formula C13H19Cl3O3S2
Exact Mass 391.98412 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 93yalSpkuur
Name -(E)-7-Hydroxy-4,4-(trimethylenedithio)-2-octenoic acid, 2,2,2-trichloroethyl ester
CAS Registry Number 69604-37-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H19Cl3O3S2
InChI InChI=1S/C13H19Cl3O3S2/c1-10(17)3-5-12(20-7-2-8-21-12)6-4-11(18)19-9-13(14,15)16/h4,6,10,17H,2-3,5,7-9H2,1H3/b6-4+
InChIKey LMFGKAREJJFLIY-GQCTYLIASA-N
Literature Reference B. Seuring, D. Seebach, Liebigs Ann. Chem. 2044 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3