John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HdoKJBs032u SpectraBase Spectrum ID=2ByH6JJ9aZW

(accessed ).
GTIKVBDFLPGYES-YFKPBYRVSA-N
SpectraBase Compound ID HdoKJBs032u
InChI InChI=1S/C9H12F3NO3/c1-8(2)4-5(3-6(14)16-8)13-7(15)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,15)/t5-/m0/s1
InChIKey GTIKVBDFLPGYES-YFKPBYRVSA-N
Mol Weight 239.19 g/mol
Molecular Formula C9H12F3NO3
Exact Mass 239.076928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ByH6JJ9aZW
Name GTIKVBDFLPGYES-YFKPBYRVSA-N
CAS Registry Number 82010-56-8
Compound Number 24
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12F3NO3
InChI InChI=1S/C9H12F3NO3/c1-8(2)4-5(3-6(14)16-8)13-7(15)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,15)/t5-/m0/s1
InChIKey GTIKVBDFLPGYES-YFKPBYRVSA-N
Literature Reference Author G.FRONZA,C.FUGANTI,P.GRASSELLI,L.MAJORI,G.PEDROCCHI-FANTONI, F.SPREAFICO
Literature Reference Citation J.ORG.CHEM.,47,3289(1982)
Literature Reference DOI 10.1021/jo00138a018
Molecular Weight 239.194 g/mol
Solvent CDCl3
Source File Reference UWCS10121
SpectraBase Batch ID BIBTuolybVa