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1-(2-Hydroxyphenyl)-2-[(trifluoromethyl)sulfonyl]pentan-1-one
SpectraBase Compound ID 7GFWn5PWLnf
InChI InChI=1S/C12H13F3O4S/c1-2-5-10(20(18,19)12(13,14)15)11(17)8-6-3-4-7-9(8)16/h3-4,6-7,10,16H,2,5H2,1H3
InChIKey GKLSMLCKSLTLNA-UHFFFAOYSA-N
Mol Weight 310.29 g/mol
Molecular Formula C12H13F3O4S
Exact Mass 310.048665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yzS5N7Z0f6
Name 1-(2-Hydroxyphenyl)-2-[(trifluoromethyl)sulfonyl]pentan-1-one
Alternate Name(s) 1-(2-hydroxyphenyl)-2-((trifluoromethyl)sulfonyl)pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O4S
InChI InChI=1S/C12H13F3O4S/c1-2-5-10(20(18,19)12(13,14)15)11(17)8-6-3-4-7-9(8)16/h3-4,6-7,10,16H,2,5H2,1H3
InChIKey GKLSMLCKSLTLNA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02350
Molecular Weight 310.287 g/mol
SMILES Oc1c(C(C(CCC)S(C(F)(F)F)(=O)=O)=O)cccc1
SPLASH splash10-00di-2900000000-53209c8f5088de4b4b87
Source of Spectrum J-81-1398-25
Wiley ID 1804314