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1,1-Difluoro-4-phenylbut-1-en-3-yn-2-yl p-toluenesulfonate
SpectraBase Compound ID 66OFCjOBOCi
InChI InChI=1S/C17H12F2O3S/c1-13-7-10-15(11-8-13)23(20,21)22-16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey AALWHOCWLYDUJH-UHFFFAOYSA-N
Mol Weight 334.34 g/mol
Molecular Formula C17H12F2O3S
Exact Mass 334.047522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NefnYTbPWD
Name 1,1-Difluoro-4-phenylbut-1-en-3-yn-2-yl p-toluenesulfonate
Alternate Name(s) 1,1-Difluoro-4-phenylbut-1-en-3-yn-2-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F2O3S
InChI InChI=1S/C17H12F2O3S/c1-13-7-10-15(11-8-13)23(20,21)22-16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey AALWHOCWLYDUJH-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.jfluchem.2014.07.007
Molecular Weight 334.337 g/mol
SMILES c1(S(=O)(=O)OC(C#Cc2ccccc2)=C(F)F)ccc(cc1)C
SPLASH splash10-004i-6900000000-ab0b2fffe05487bd2953
Source of Spectrum JFC-167-168-2a
Wiley ID 1748069