John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=55fupu9cjpk SpectraBase Spectrum ID=11gJb5fRSoT

(accessed ).
KJUOFBDISLEOIU-XTWSRORZSA-N
SpectraBase Compound ID 55fupu9cjpk
InChI InChI=1S/C18H17NO3.C2HF3O2/c1-14(20)17(18(21)22-2)19(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;3-2(4,5)1(6)7/h3-13H,1-2H3;(H,6,7)/b19-13+;
InChIKey KJUOFBDISLEOIU-XTWSRORZSA-N
Mol Weight 409.36 g/mol
Molecular Formula C20H18F3NO5
Exact Mass 409.113708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11gJb5fRSoT
Name KJUOFBDISLEOIU-XTWSRORZSA-N
Compound Number 3'A,(Z-OR-E-ISOMER)
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18F3NO5
InChI InChI=1S/C18H17NO3.C2HF3O2/c1-14(20)17(18(21)22-2)19(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15;3-2(4,5)1(6)7/h3-13H,1-2H3;(H,6,7)/b19-13+;
InChIKey KJUOFBDISLEOIU-XTWSRORZSA-N
Literature Reference Author M.VAULTIER,G.MULLICK,R.CARRIE
Literature Reference Citation CAN.J.CHEM.,57,2876(1979)
Literature Reference DOI 10.1139/v79-467
Molecular Weight 409.362 g/mol
Solvent CDCl3
Source File Reference UWCS6426
SpectraBase Batch ID Dvk08yvfFEY