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2-(acetylthio)-4,4,4-trifluoro-butyric acid methyl ester

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2-(acetylthio)-4,4,4-trifluoro-butyric acid methyl ester
SpectraBase Compound ID HavrDaoo9E1
InChI InChI=1S/C7H9F3O3S/c1-4(11)14-5(6(12)13-2)3-7(8,9)10/h5H,3H2,1-2H3
InChIKey QRICUCSHJDXJPV-UHFFFAOYSA-N
Mol Weight 230.2 g/mol
Molecular Formula C7H9F3O3S
Exact Mass 230.02245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nH9WTjxzak
Name 2-(acetylthio)-4,4,4-trifluoro-butyric acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F3O3S
InChI InChI=1S/C7H9F3O3S/c1-4(11)14-5(6(12)13-2)3-7(8,9)10/h5H,3H2,1-2H3
InChIKey QRICUCSHJDXJPV-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 230.202 g/mol
Source File Reference MHKO25503