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2-((trifluoromethyl)thio)isoindoline-1,3-dione
SpectraBase Compound ID LXkvYOr7Joe
InChI InChI=1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChIKey CFNSRIIHFLPQCE-UHFFFAOYSA-N
Mol Weight 247.19 g/mol
Molecular Formula C9H4F3NO2S
Exact Mass 246.991484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pP9DvQP47e
Name 2-((trifluoromethyl)thio)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4F3NO2S
InChI InChI=1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChIKey CFNSRIIHFLPQCE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201307484
Molecular Weight 247.191 g/mol
SMILES c1cc2C(N(C(c2cc1)=O)SC(F)(F)F)=O
SPLASH splash10-0002-1190000000-b0d18616afcc707397ab
Source of Spectrum ACI-53-SM3-4
Wiley ID 1782023