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[(E)-1-methyl-2-(trifluoromethyl)oct-1-en-3-ynyl]sulfonylbenzene
SpectraBase Compound ID 8Kgr4alflhX
InChI InChI=1S/C16H17F3O2S/c1-3-4-5-9-12-15(16(17,18)19)13(2)22(20,21)14-10-7-6-8-11-14/h6-8,10-11H,3-5H2,1-2H3/b15-13+
InChIKey PMOBYNQJEJSGFZ-FYWRMAATSA-N
Mol Weight 330.37 g/mol
Molecular Formula C16H17F3O2S
Exact Mass 330.090135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LB31cUD1ft6
Name [(E)-1-methyl-2-(trifluoromethyl)oct-1-en-3-ynyl]sulfonylbenzene
Alternate Name(s) [(E)-3-(trifluoromethyl)non-2-en-4-yn-2-yl]sulfonylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3O2S
InChI InChI=1S/C16H17F3O2S/c1-3-4-5-9-12-15(16(17,18)19)13(2)22(20,21)14-10-7-6-8-11-14/h6-8,10-11H,3-5H2,1-2H3/b15-13+
InChIKey PMOBYNQJEJSGFZ-FYWRMAATSA-N
Molecular Weight 330.365 g/mol
SMILES c1(S(=O)(=O)\C(=C/(C#CCCCC)C(F)(F)F)C)ccccc1
SPLASH splash10-03di-0790000000-b86dcd74a31369576e0e
Source of Spectrum K-2001-521-4
Wiley ID 1578674