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

*Links on SpectraBase are not permalinks.
4-METHOXY-5-PROPYL-3-TRIFLUOROMETHOXYBENZOIC-ACID
SpectraBase Compound ID IEimuTek7zp
InChI InChI=1S/C12H13F3O4/c1-3-4-7-5-8(11(16)17)6-9(10(7)18-2)19-12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKey SFEYVJQGOACKLP-UHFFFAOYSA-N
Mol Weight 278.23 g/mol
Molecular Formula C12H13F3O4
Exact Mass 278.076593 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 FTBaRLzyBij
Name 4-METHOXY-5-PROPYL-3-TRIFLUOROMETHOXYBENZOIC-ACID
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3O4
InChI InChI=1S/C12H13F3O4/c1-3-4-7-5-8(11(16)17)6-9(10(7)18-2)19-12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKey SFEYVJQGOACKLP-UHFFFAOYSA-N
Literature Reference Author T.KLINE,N.H.ANDERSEN,E.A.HARWOOD,J.BOWMAN,A.MALANDA,S.ENDSLE Y,A.L.ERWIN,M.DOYLE,
Literature Reference Citation J.MED.CHEM.,45,3112(2002)
Literature Reference DOI 10.1021/jm010579r
Molecular Weight 278.228 g/mol
Sample ID 64828
Solvent CDCl3