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2-(2-fluoranylethyl)-4-methyl-benzenesulfonic acid
SpectraBase Compound ID HsU8LHmXy9H
InChI InChI=1S/C9H11FO3S/c1-7-2-3-9(14(11,12)13)8(6-7)4-5-10/h2-3,6H,4-5H2,1H3,(H,11,12,13)
InChIKey LWTOTURCPGYTNP-UHFFFAOYSA-N
Mol Weight 218.24 g/mol
Molecular Formula C9H11FO3S
Exact Mass 218.041294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXPnOrRR1Zi
Name 2-(2-fluoranylethyl)-4-methyl-benzenesulfonic acid
Alternate Name(s) 2-(2-fluoroethyl)-4-methyl-benzenesulfonic acid 2-(2-fluoroethyl)-4-methyl-besylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11FO3S
InChI InChI=1S/C9H11FO3S/c1-7-2-3-9(14(11,12)13)8(6-7)4-5-10/h2-3,6H,4-5H2,1H3,(H,11,12,13)
InChIKey LWTOTURCPGYTNP-UHFFFAOYSA-N
Molecular Weight 218.242 g/mol
SMILES OS(c1c(cc(cc1)C)CCF)(=O)=O
SPLASH splash10-0aox-9730000000-753bd90332e3ebb3fa78
Source of Spectrum KC-61-8416-0
Wiley ID 1630325