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4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester
SpectraBase Compound ID FljKgeLe9pS
InChI InChI=1S/C13H9F3O2/c1-2-3-4-9-18-12(17)10-5-7-11(8-6-10)13(14,15)16/h1,3-8H,9H2
InChIKey UJVYDZIZKFKVHB-UHFFFAOYSA-N
Mol Weight 254.21 g/mol
Molecular Formula C13H9F3O2
Exact Mass 254.055464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7J0UxsO2zry
Name 4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester
Alternate Name(s) Pent-2-en-4-ynyl 4-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F3O2
InChI InChI=1S/C13H9F3O2/c1-2-3-4-9-18-12(17)10-5-7-11(8-6-10)13(14,15)16/h1,3-8H,9H2
InChIKey UJVYDZIZKFKVHB-UHFFFAOYSA-N
Molecular Weight 254.208 g/mol
SMILES c1(ccc(cc1)C(OCC=CC#C)=O)C(F)(F)F
SPLASH splash10-00di-1900000000-bf0641c595913415810a
Source of Spectrum NP-7-3321-0
Wiley ID 1106438