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(R)-4,4,4-Trifluoro-2-mercaptobutyric acid isobutyl ester
SpectraBase Compound ID B5PRH69CLvm
InChI InChI=1S/C8H13F3O2S/c1-5(2)4-13-7(12)6(14)3-8(9,10)11/h5-6,14H,3-4H2,1-2H3/t6-/m1/s1
InChIKey SMXHBGUWTNCHOS-ZCFIWIBFSA-N
Mol Weight 230.25 g/mol
Molecular Formula C8H13F3O2S
Exact Mass 230.058835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTbdmfI3Tw5
Name (R)-4,4,4-Trifluoro-2-mercaptobutyric acid isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13F3O2S
InChI InChI=1S/C8H13F3O2S/c1-5(2)4-13-7(12)6(14)3-8(9,10)11/h5-6,14H,3-4H2,1-2H3/t6-/m1/s1
InChIKey SMXHBGUWTNCHOS-ZCFIWIBFSA-N
Molecular Weight 230.245 g/mol
SMILES S[C@@](C(OCC(C)C)=O)(CC(F)(F)F)[H]
SPLASH splash10-0a4i-9500000000-b8632bfca45afb502269
Source of Spectrum QC-11-2129-5
Synonyms isobutyl (2R)-4,4,4-trifluoro-2-sulfanylbutanoate
Wiley ID 859912