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RQTXKULYUGBVMP-UHFFFAOYSA-N

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RQTXKULYUGBVMP-UHFFFAOYSA-N
SpectraBase Compound ID EoU1t4qn8Sb
InChI InChI=1S/C16H16F2O3S/c1-12-7-9-14(10-8-12)22(21)11-15(19,20)16(17,18)13-5-3-2-4-6-13/h2-10,19-20H,11H2,1H3
InChIKey RQTXKULYUGBVMP-UHFFFAOYSA-N
Mol Weight 326.36 g/mol
Molecular Formula C16H16F2O3S
Exact Mass 326.078822 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DehZXlbKFHk
Name RQTXKULYUGBVMP-UHFFFAOYSA-N
Compound Number 3A-HYDRATED-FORM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16F2O3S
InChI InChI=1S/C16H16F2O3S/c1-12-7-9-14(10-8-12)22(21)11-15(19,20)16(17,18)13-5-3-2-4-6-13/h2-10,19-20H,11H2,1H3
InChIKey RQTXKULYUGBVMP-UHFFFAOYSA-N
Literature Reference Author P.BRAVO,M.PREGNOLATO,G.RESNATI
Literature Reference Citation J.ORG.CHEM.,57,2726(1992)
Literature Reference DOI 10.1021/jo00035a035
Solvent CDCl3
Source File Reference UWPS3081