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

*Links on SpectraBase are not permalinks.

METHYL-3-HYDROXY-3-(4-TRIFLUOROMETHYLPHENYL)-BUTANOATE

View entire compound with spectra: 2 NMR

METHYL-3-HYDROXY-3-(4-TRIFLUOROMETHYLPHENYL)-BUTANOATE
SpectraBase Compound ID I4Mu2YEnQFi
InChI InChI=1S/C12H13F3O3/c1-11(17,7-10(16)18-2)8-3-5-9(6-4-8)12(13,14)15/h3-6,17H,7H2,1-2H3
InChIKey DEDDTSKATPOLPO-UHFFFAOYSA-N
Mol Weight 262.23 g/mol
Molecular Formula C12H13F3O3
Exact Mass 262.081679 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 136SPxFH04
Name METHYL-3-HYDROXY-3-(4-TRIFLUOROMETHYLPHENYL)-BUTANOATE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3O3
InChI InChI=1S/C12H13F3O3/c1-11(17,7-10(16)18-2)8-3-5-9(6-4-8)12(13,14)15/h3-6,17H,7H2,1-2H3
InChIKey DEDDTSKATPOLPO-UHFFFAOYSA-N
Literature Reference Author S.E.DENMARK,Y.FAN
Literature Reference Citation J.AM.CHEM.SOC.,124,4233(2002)
Literature Reference DOI 10.1021/ja025670e
Molecular Weight 262.229 g/mol
Sample ID 49837
Solvent CDCl3