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4-[3,5-bis(Trifluoromethyl)phenyl]benzoic acid methyl ester
SpectraBase Compound ID JBywhlWr2X0
InChI InChI=1S/C16H10F6O2/c1-24-14(23)10-4-2-9(3-5-10)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h2-8H,1H3
InChIKey WRGVQDJLLLWQTJ-UHFFFAOYSA-N
Mol Weight 348.24 g/mol
Molecular Formula C16H10F6O2
Exact Mass 348.058499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7e0VrQcqj2
Name 4-[3,5-bis(trifluoromethyl)phenyl]benzoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F6O2
InChI InChI=1S/C16H10F6O2/c1-24-14(23)10-4-2-9(3-5-10)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h2-8H,1H3
InChIKey WRGVQDJLLLWQTJ-UHFFFAOYSA-N
Molecular Weight 348.244 g/mol
SMILES C(c1cc(C(F)(F)F)cc(c1)-c1ccc(C(=O)OC)cc1)(F)(F)F
SPLASH splash10-014i-0039000000-4a8bfb868ac53c8cc2b2
Source of Spectrum J-64-3890-4
Synonyms Methyl 4-[3,5-bis(trifluoromethyl)phenyl]benzoate
Wiley ID 1530216