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(2E)-2-Penten-4-ynyl 2,3,4-trifluorobenzoate
SpectraBase Compound ID LG3KnJeQacL
InChI InChI=1S/C12H7F3O2/c1-2-3-4-7-17-12(16)8-5-6-9(13)11(15)10(8)14/h1,3-6H,7H2/b4-3+
InChIKey NNNUEGOUIVSAFU-ONEGZZNKSA-N
Mol Weight 240.18 g/mol
Molecular Formula C12H7F3O2
Exact Mass 240.039814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnUEcTqt5YG
Name (2E)-2-Penten-4-ynyl 2,3,4-trifluorobenzoate
Alternate Name(s) 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester [(E)-pent-2-en-4-ynyl] 2,3,4-trifluorobenzoate [(E)-pent-2-en-4-ynyl] 2,3,4-tris(fluoranyl)benzoate
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Formula C12H7F3O2
InChI InChI=1S/C12H7F3O2/c1-2-3-4-7-17-12(16)8-5-6-9(13)11(15)10(8)14/h1,3-6H,7H2/b4-3+
InChIKey NNNUEGOUIVSAFU-ONEGZZNKSA-N
Molecular Weight 240.181 g/mol
SMILES C(=O)(OC\C=C\C#C)c1c(F)c(c(cc1)F)F
SPLASH splash10-0a4i-1900000000-70034ce39f1417f96b73
Source of Spectrum NP-6-4870-0
Wiley ID 1105758