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

*Links on SpectraBase are not permalinks.
benzoic acid [(3S,5E)-5-(benzoyloxymethylene)-4,4-difluoro-tetrahydrothiophen-3-yl] ester
SpectraBase Compound ID dHkzCYTrqh
InChI InChI=1S/C19H14F2O4S/c20-19(21)15(25-18(23)14-9-5-2-6-10-14)12-26-16(19)11-24-17(22)13-7-3-1-4-8-13/h1-11,15H,12H2/b16-11+/t15-/m1/s1
InChIKey XWYWADOCRIWVRV-YLQKULKDSA-N
Mol Weight 376.37 g/mol
Molecular Formula C19H14F2O4S
Exact Mass 376.058086 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 Izipgh49ilz
Name benzoic acid [(3S,5E)-5-(benzoyloxymethylene)-4,4-difluoro-tetrahydrothiophen-3-yl] ester
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14F2O4S
InChI InChI=1S/C19H14F2O4S/c20-19(21)15(25-18(23)14-9-5-2-6-10-14)12-26-16(19)11-24-17(22)13-7-3-1-4-8-13/h1-11,15H,12H2/b16-11+/t15-/m1/s1
InChIKey XWYWADOCRIWVRV-YLQKULKDSA-N
Literature Reference Author X.ZHANG,H.XIA,X.DONG,J.JIN,W.D.MENG,F.L.QING
Literature Reference Citation J.ORG.CHEM.,68,9026(2003)
Literature Reference DOI 10.1021/jo034512i
Molecular Weight 376.375 g/mol
Solvent CDCl3
Source File Reference UWVN25695