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(2S)-i-Propyl 2-trifluoromethanesulfenyl-1-oxoindan-2-carboxylate
SpectraBase Compound ID HsSVu8xeo51
InChI InChI=1S/C14H13F3O3S/c1-8(2)20-12(19)13(21-14(15,16)17)7-9-5-3-4-6-10(9)11(13)18/h3-6,8H,7H2,1-2H3/t13-/m0/s1
InChIKey AHPJDYKYCQBGBL-ZDUSSCGKSA-N
Mol Weight 318.31 g/mol
Molecular Formula C14H13F3O3S
Exact Mass 318.05375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F11O6KARsL1
Name (2S)-i-Propyl 2-trifluoromethanesulfenyl-1-oxoindan-2-carboxylate
Alternate Name(s) isopropyl (S)-1-oxo-2-((trifluoromethyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3O3S
InChI InChI=1S/C14H13F3O3S/c1-8(2)20-12(19)13(21-14(15,16)17)7-9-5-3-4-6-10(9)11(13)18/h3-6,8H,7H2,1-2H3/t13-/m0/s1
InChIKey AHPJDYKYCQBGBL-ZDUSSCGKSA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 318.310 g/mol
SMILES [C@]1(SC(F)(F)F)(C(=O)OC(C)C)Cc2c(cccc2)C1=O
SPLASH splash10-00lr-0950000000-1970fdbc9975a65b4461
Source of Spectrum ACI-52-SMS8-arb11
Wiley ID 1781818