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Methanesulfonic acid, trifluoro-, 1-methyl-2-[2-(1-propynyl)phenyl]ethenyl ester, (E)-
SpectraBase Compound ID 3r6DHJ9Eacp
InChI InChI=1S/C13H11F3O3S/c1-3-6-11-7-4-5-8-12(11)9-10(2)19-20(17,18)13(14,15)16/h4-5,7-9H,1-2H3/b10-9+
InChIKey PUYJLYUKLWZTGB-MDZDMXLPSA-N
Mol Weight 304.28 g/mol
Molecular Formula C13H11F3O3S
Exact Mass 304.0381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LR0MWRRKpu7
Name Methanesulfonic acid, trifluoro-, 1-methyl-2-[2-(1-propynyl)phenyl]ethenyl ester, (E)-
Alternate Name(s) (E)-1-methyl-2-[2-(1-propynyl)phenyl]ethenyl trifluoromethanesulfonate (Z)-1-Methyl-2-[2-(1-propin-1-yl)phenyl]vinyl-triflate
CAS Registry Number 93769-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11F3O3S
InChI InChI=1S/C13H11F3O3S/c1-3-6-11-7-4-5-8-12(11)9-10(2)19-20(17,18)13(14,15)16/h4-5,7-9H,1-2H3/b10-9+
InChIKey PUYJLYUKLWZTGB-MDZDMXLPSA-N
Molecular Weight 304.283 g/mol
SMILES C(S(O\C(=C\c1c(C#CC)cccc1)C)(=O)=O)(F)(F)F
SPLASH splash10-00b9-0901000000-f4b29cabd6eb9c3978e9
Source of Spectrum K-117-3031-0
Wiley ID 1306050