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2-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester
SpectraBase Compound ID 5zbBhjv4wQ3
InChI InChI=1S/C14H13F3O2/c1-3-7-10(4-2)19-13(18)11-8-5-6-9-12(11)14(15,16)17/h5-6,8-10H,4H2,1-2H3
InChIKey VTPKBXHSYNVGMH-UHFFFAOYSA-N
Mol Weight 270.25 g/mol
Molecular Formula C14H13F3O2
Exact Mass 270.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZKZirKeO1C
Name 2-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester
Alternate Name(s) 2-(trifluoromethyl)benzoic acid hex-4-yn-3-yl ester 1-Ethylbut-2-ynyl 2-(trifluoromethyl)benzoate Hex-4-yn-3-yl 2-(trifluoromethyl)benzoate
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Formula C14H13F3O2
InChI InChI=1S/C14H13F3O2/c1-3-7-10(4-2)19-13(18)11-8-5-6-9-12(11)14(15,16)17/h5-6,8-10H,4H2,1-2H3
InChIKey VTPKBXHSYNVGMH-UHFFFAOYSA-N
Molecular Weight 270.251 g/mol
SMILES c1cccc(c1C(OC(C#CC)CC)=O)C(F)(F)F
SPLASH splash10-00di-4910000000-c10c89ab9483adce27e6
Source of Spectrum NP-8-3084-0
Wiley ID 1107198