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(1R,2S)-tert-Butyl 1-hydroxy-1-(prop-1-ynyl)-2-(trifluoromethanesulfenyl)-2,3-dihydro-1H-indene-2-carboxylate
SpectraBase Compound ID 4q4cYKANTKo
InChI InChI=1S/C18H19F3O3S/c1-5-10-16(23)13-9-7-6-8-12(13)11-17(16,25-18(19,20)21)14(22)24-15(2,3)4/h6-9,23H,11H2,1-4H3/t16-,17+/m0/s1
InChIKey SKYRMNOZHSRAOS-DLBZAZTESA-N
Mol Weight 372.4 g/mol
Molecular Formula C18H19F3O3S
Exact Mass 372.1007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U4nG02JmhR
Name (1R,2S)-tert-Butyl 1-hydroxy-1-(prop-1-ynyl)-2-(trifluoromethanesulfenyl)-2,3-dihydro-1H-indene-2-carboxylate
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Formula C18H19F3O3S
InChI InChI=1S/C18H19F3O3S/c1-5-10-16(23)13-9-7-6-8-12(13)11-17(16,25-18(19,20)21)14(22)24-15(2,3)4/h6-9,23H,11H2,1-4H3/t16-,17+/m0/s1
InChIKey SKYRMNOZHSRAOS-DLBZAZTESA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 372.402 g/mol
SMILES O[C@@]1([C@](Cc2ccccc12)(SC(F)(F)F)C(=O)OC(C)(C)C)C#CC
SPLASH splash10-0aor-9321000000-c69645abcca83ff667fc
Source of Spectrum ACI-52-SMS12-arb17
Synonyms tert-Butyl (1S,2S)-1-hydroxy-1-(prop-1-yn-1-yl)-2-((trifluoromethyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
Wiley ID 1781824