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1H-Pyrrole-2-methanol, 1-methyl-.alpha.-(trifluoromethyl)-, acetate(ester)
SpectraBase Compound ID IIwCdocOntE
InChI InChI=1S/C9H10F3NO2/c1-6(14)15-8(9(10,11)12)7-4-3-5-13(7)2/h3-5,8H,1-2H3
InChIKey NEFJQPCWNPGVIS-UHFFFAOYSA-N
Mol Weight 221.18 g/mol
Molecular Formula C9H10F3NO2
Exact Mass 221.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X8gCoprn47
Name 1H-Pyrrole-2-methanol, 1-methyl-.alpha.-(trifluoromethyl)-, acetate(ester)
CAS Registry Number 130719-84-5
Comments Less than 3 mono-isotopic peaks
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Formula C9H10F3NO2
InChI InChI=1S/C9H10F3NO2/c1-6(14)15-8(9(10,11)12)7-4-3-5-13(7)2/h3-5,8H,1-2H3
InChIKey NEFJQPCWNPGVIS-UHFFFAOYSA-N
Molecular Weight 221.179 g/mol
SMILES C(c1[n](ccc1)C)(C(F)(F)F)OC(=O)C
SPLASH splash10-03k9-0980000000-66a7bd147937cd6750ce
Source of Spectrum I-68-1712-8
Synonyms 1-Methyl-2-(1-acetoxy-2,2,2-trifluoroethyl)pyrrole 2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethyl acetate
Wiley ID 1221050