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

*Links on SpectraBase are not permalinks.
METHYL-(Z)-4-HYDROXY-4-METHYL-3-PHENYLTHIO-2-PENTENOATE
SpectraBase Compound ID FiTrzGInW0A
InChI InChI=1S/C13H16O3S/c1-13(2,15)11(9-12(14)16-3)17-10-7-5-4-6-8-10/h4-9,15H,1-3H3/b11-9-
InChIKey DFTOXPGIPYVKTL-LUAWRHEFSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 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 6wNJjNwrzzW
Name METHYL-(Z)-4-HYDROXY-4-METHYL-3-PHENYLTHIO-2-PENTENOATE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-13(2,15)11(9-12(14)16-3)17-10-7-5-4-6-8-10/h4-9,15H,1-3H3/b11-9-
InChIKey DFTOXPGIPYVKTL-LUAWRHEFSA-N
Literature Reference Author R.HUA,H.TAKEDA,S.Y.ONOZAWA,Y.ABE,M.TANAKA
Literature Reference Citation J.AM.CHEM.SOC.,123,2899(2001)
Literature Reference DOI 10.1021/ja004063t
Molecular Weight 252.328 g/mol
Solvent CDCl3
Source File Reference UWSI25577