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6-[(difluoromethyl)thio]-hexanoic acid-ethyl ester
SpectraBase Compound ID 31ULPEY6NWs
InChI InChI=1S/C9H16F2O2S/c1-2-13-8(12)6-4-3-5-7-14-9(10)11/h9H,2-7H2,1H3
InChIKey WHJKWIGAQBXOEK-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C9H16F2O2S
Exact Mass 226.083907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di36YOmFjvi
Name 6-[(difluoromethyl)thio]-hexanoic acid-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16F2O2S
InChI InChI=1S/C9H16F2O2S/c1-2-13-8(12)6-4-3-5-7-14-9(10)11/h9H,2-7H2,1H3
InChIKey WHJKWIGAQBXOEK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500899
Molecular Weight 226.282 g/mol
SMILES CCOC(CCCCCSC(F)F)=O
SPLASH splash10-0043-3910000000-ba7d6e3ad9b33e2bb35d
Source of Spectrum ACI-54-5753/SMS20-16
Synonyms Ethyl 6-((difluoromethyl)thio)hexanoate
Wiley ID 1761197