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3-[2-chloro-5-(trifluoromethyl)benzyl]thiophene
SpectraBase Compound ID BuE3X9L2mTL
InChI InChI=1S/C12H8ClF3S/c13-11-2-1-10(12(14,15)16)6-9(11)5-8-3-4-17-7-8/h1-4,6-7H,5H2
InChIKey LGBONIKYZOUWMP-UHFFFAOYSA-N
Mol Weight 276.7 g/mol
Molecular Formula C12H8ClF3S
Exact Mass 275.998734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXNApkP7ZN
Name 3-[2-chloro-5-(trifluoromethyl)benzyl]thiophene
Alternate Name(s) 3-(2-Chloro-5-(trifluoromethyl)benzyl)thiophene
Comments Edited after expert review for DOP contamination - Original record with SpectrumID 1749464 moved to the Legacy library
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Formula C12H8ClF3S
InChI InChI=1S/C12H8ClF3S/c13-11-2-1-10(12(14,15)16)6-9(11)5-8-3-4-17-7-8/h1-4,6-7H,5H2
InChIKey LGBONIKYZOUWMP-UHFFFAOYSA-N
Molecular Weight 276.704 g/mol
SMILES c1(Cc2ccsc2)c(Cl)ccc(C(F)(F)F)c1
SPLASH splash10-0006-9150000000-61030ab04c55c5024b91
Source of Spectrum A1-16-2422/SM27-5h
Wiley ID 1821495