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1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid hexafluoroisopropyl ester
SpectraBase Compound ID CnCbZRrJgHj
InChI InChI=1S/C18H15F6NO3/c1-10-3-5-11(6-4-10)15(27)13-8-7-12(25(13)2)9-14(26)28-16(17(19,20)21)18(22,23)24/h3-8,16H,9H2,1-2H3
InChIKey IDYJBLUNJUQMEO-UHFFFAOYSA-N
Mol Weight 407.31 g/mol
Molecular Formula C18H15F6NO3
Exact Mass 407.095612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gGoEuCuCcC
Name 1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid hexafluoroisopropyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate
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Formula C18H15F6NO3
InChI InChI=1S/C18H15F6NO3/c1-10-3-5-11(6-4-10)15(27)13-8-7-12(25(13)2)9-14(26)28-16(17(19,20)21)18(22,23)24/h3-8,16H,9H2,1-2H3
InChIKey IDYJBLUNJUQMEO-UHFFFAOYSA-N
Molecular Weight 407.312 g/mol
SMILES c1([n](c(CC(OC(C(F)(F)F)C(F)(F)F)=O)cc1)C)C(c1ccc(cc1)C)=O
SPLASH splash10-03dl-3493300000-ce0bcba2386eafc8fec0
Source of Spectrum CJ-1992-0-0
Wiley ID 1372505