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(S)-tert-butyl 3-p-tolyl-3-(trifluoromethanesulfenyl)-2-oxoindoline-1-carboxylate
SpectraBase Compound ID 1S8YFYyXJjj
InChI InChI=1S/C21H20F3NO3S/c1-13-9-11-14(12-10-13)20(29-21(22,23)24)15-7-5-6-8-16(15)25(17(20)26)18(27)28-19(2,3)4/h5-12H,1-4H3/t20-/m0/s1
InChIKey FGSQBQSNDHCDIR-FQEVSTJZSA-N
Mol Weight 423.45 g/mol
Molecular Formula C21H20F3NO3S
Exact Mass 423.111599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CGiRPyBAo3
Name (S)-tert-butyl 3-p-tolyl-3-(trifluoromethanesulfenyl)-2-oxoindoline-1-carboxylate
Alternate Name(s) (S)-tert-butyl 2-oxo-3-(p-tolyl)-3-((trifluoromethyl)thio)indoline-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F3NO3S
InChI InChI=1S/C21H20F3NO3S/c1-13-9-11-14(12-10-13)20(29-21(22,23)24)15-7-5-6-8-16(15)25(17(20)26)18(27)28-19(2,3)4/h5-12H,1-4H3/t20-/m0/s1
InChIKey FGSQBQSNDHCDIR-FQEVSTJZSA-N
Literature Reference DOI 10.1039/c3cc49877h
Molecular Weight 423.450 g/mol
SMILES C(C)(C)(OC(N1c2ccccc2[C@@](SC(F)(F)F)(c2ccc(cc2)C)C1=O)=O)C
SPLASH splash10-00di-2092000000-db9fa595b0f6f0fad210
Source of Spectrum KD-50-2508/SMS4-arb2
Wiley ID 1754441