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1,1-Difluoro-4-p-tolylbut-1-en-3-yn-2-yl p-toluenesulfonate
SpectraBase Compound ID 6Pd84MHxYtA
InChI InChI=1S/C18H14F2O3S/c1-13-3-7-15(8-4-13)9-12-17(18(19)20)23-24(21,22)16-10-5-14(2)6-11-16/h3-8,10-11H,1-2H3
InChIKey ISOXWJAKNUGZOM-UHFFFAOYSA-N
Mol Weight 348.36 g/mol
Molecular Formula C18H14F2O3S
Exact Mass 348.063172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9e4pf8FnMzN
Name 1,1-Difluoro-4-p-tolylbut-1-en-3-yn-2-yl p-toluenesulfonate
Alternate Name(s) 1,1-Difluoro-4-(p-tolyl)but-1-en-3-yn-2-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F2O3S
InChI InChI=1S/C18H14F2O3S/c1-13-3-7-15(8-4-13)9-12-17(18(19)20)23-24(21,22)16-10-5-14(2)6-11-16/h3-8,10-11H,1-2H3
InChIKey ISOXWJAKNUGZOM-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2014.07.007
Molecular Weight 348.364 g/mol
SMILES c1(S(=O)(=O)OC(C#Cc2ccc(cc2)C)=C(F)F)ccc(cc1)C
SPLASH splash10-0006-4900000000-9a89c1009832cb064bf9
Source of Spectrum JFC-167-169-2b
Wiley ID 1748070