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(2S)-tert-Butyl 2-trifluoromethanesulfenyl-4-fluoro-1-oxoindan-2-carboxylate
SpectraBase Compound ID AQYEkLGYXKD
InChI InChI=1S/C15H14F4O3S/c1-13(2,3)22-12(21)14(23-15(17,18)19)7-9-8(11(14)20)5-4-6-10(9)16/h4-6H,7H2,1-3H3/t14-/m0/s1
InChIKey IRKRJBHNBBWYSD-AWEZNQCLSA-N
Mol Weight 350.33 g/mol
Molecular Formula C15H14F4O3S
Exact Mass 350.059978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bOaTapHZw
Name (2S)-tert-Butyl 2-trifluoromethanesulfenyl-4-fluoro-1-oxoindan-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14F4O3S
InChI InChI=1S/C15H14F4O3S/c1-13(2,3)22-12(21)14(23-15(17,18)19)7-9-8(11(14)20)5-4-6-10(9)16/h4-6H,7H2,1-3H3/t14-/m0/s1
InChIKey IRKRJBHNBBWYSD-AWEZNQCLSA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 350.328 g/mol
SMILES C(S[C@@]1(C(=O)OC(C)(C)C)Cc2c(cccc2F)C1=O)(F)(F)F
SPLASH splash10-052g-3790000000-cf8d24a452c2c6d0725b
Source of Spectrum ACI-52-SMS7-arb9
Synonyms tert-Butyl (S)-4-fluoro-1-oxo-2-((trifluoromethyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
Wiley ID 1781834