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Ethyl 4-((3-(trifluoromethyl)phenyl)ethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-((3-(trifluoromethyl)phenyl)ethynyl)benzoate
SpectraBase Compound ID HZk3dhfVg1y
InChI InChI=1S/C18H13F3O2/c1-2-23-17(22)15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18(19,20)21/h3-5,8-12H,2H2,1H3
InChIKey QUTUBHKZDUEANC-UHFFFAOYSA-N
Mol Weight 318.3 g/mol
Molecular Formula C18H13F3O2
Exact Mass 318.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GX9vgCSqrTK
Name Ethyl 4-((3-(trifluoromethyl)phenyl)ethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3O2
InChI InChI=1S/C18H13F3O2/c1-2-23-17(22)15-10-8-13(9-11-15)6-7-14-4-3-5-16(12-14)18(19,20)21/h3-5,8-12H,2H2,1H3
InChIKey QUTUBHKZDUEANC-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 318.295 g/mol
SMILES C(c1ccc(cc1)C#Cc1cc(ccc1)C(F)(F)F)(=O)OCC
SPLASH splash10-00xr-0093000000-86f10677231e610073d8
Source of Spectrum CSS-7-89/SM11-3hb
Wiley ID 1801102