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2-(3-fluoro-4-phenylphenyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester
SpectraBase Compound ID CcPhpZdzsda
InChI InChI=1S/C18H13F7O2/c1-10(15(26)27-16(17(20,21)22)18(23,24)25)12-7-8-13(14(19)9-12)11-5-3-2-4-6-11/h2-10,16H,1H3
InChIKey KIRCEMVMQVLCBA-UHFFFAOYSA-N
Mol Weight 394.29 g/mol
Molecular Formula C18H13F7O2
Exact Mass 394.080377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ejWieZX4kt
Name 2-(3-fluoro-4-phenylphenyl)propanoic acid 1,1-di(trifluoromethyl)methyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 2-(2-fluoro[1,1'-biphenyl]-4-yl)propanoate
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Formula C18H13F7O2
InChI InChI=1S/C18H13F7O2/c1-10(15(26)27-16(17(20,21)22)18(23,24)25)12-7-8-13(14(19)9-12)11-5-3-2-4-6-11/h2-10,16H,1H3
InChIKey KIRCEMVMQVLCBA-UHFFFAOYSA-N
Molecular Weight 394.289 g/mol
SMILES C(C(F)(F)F)(C(F)(F)F)OC(C(c1cc(F)c(cc1)-c1ccccc1)C)=O
SPLASH splash10-0002-0923000000-e1456786e8c7a840539e
Source of Spectrum CJ-1992-0-0
Wiley ID 1366497