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(S)-METHYL_5,5,5-TRIFLUORO-4-ACETOXY-2-METHYLENEPENTANOATE
SpectraBase Compound ID CKjCS5c0PU0
InChI InChI=1S/C9H11F3O4/c1-5(8(14)15-3)4-7(9(10,11)12)16-6(2)13/h7H,1,4H2,2-3H3/t7-/m0/s1
InChIKey DHSGQDKBSKJXFG-ZETCQYMHSA-N
Mol Weight 240.18 g/mol
Molecular Formula C9H11F3O4
Exact Mass 240.060943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zaq81unmDY
Name (S)-METHYL_5,5,5-TRIFLUORO-4-ACETOXY-2-METHYLENEPENTANOATE
Compound Number (S)-4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11F3O4
InChI InChI=1S/C9H11F3O4/c1-5(8(14)15-3)4-7(9(10,11)12)16-6(2)13/h7H,1,4H2,2-3H3/t7-/m0/s1
InChIKey DHSGQDKBSKJXFG-ZETCQYMHSA-N
Literature Reference Author Y.KOMATSU,F.SASAKI,S.TAKEI,T.KITAZUME
Literature Reference Citation J.ORG.CHEM.,63,8058(1998)
Literature Reference DOI 10.1021/jo981183z
Molecular Weight 240.179 g/mol
Sample ID 26445
Solvent CDCl3