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2,2,2-trichloroethyl 2-hydroxy-2-phenyl-2-(1H-pyrrol-2- yl)acetate
SpectraBase Compound ID CbM8HhdTY3q
InChI InChI=1S/C14H12Cl3NO3/c15-13(16,17)9-21-12(19)14(20,11-7-4-8-18-11)10-5-2-1-3-6-10/h1-8,18,20H,9H2/t14-/m1/s1
InChIKey DKPWFVWHTGQNRW-CQSZACIVSA-N
Mol Weight 348.61 g/mol
Molecular Formula C14H12Cl3NO3
Exact Mass 346.988276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hVXX0fG2an
Name 2,2,2-trichloroethyl 2-hydroxy-2-phenyl-2-(1H-pyrrol-2- yl)acetate
Alternate Name(s) (R)-2,2,2-trichloroethyl 2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate 2,2,2-trichloroethyl (2R)-2-hydroxy-2-phenyl-2-(1H-pyrrol-2-yl)acetate 2,2,2-tris(chloranyl)ethyl (2R)-2-oxidanyl-2-phenyl-2-(1H-pyrrol-2-yl)ethanoate
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Formula C14H12Cl3NO3
InChI InChI=1S/C14H12Cl3NO3/c15-13(16,17)9-21-12(19)14(20,11-7-4-8-18-11)10-5-2-1-3-6-10/h1-8,18,20H,9H2/t14-/m1/s1
InChIKey DKPWFVWHTGQNRW-CQSZACIVSA-N
Literature Reference DOI 10.1021/jo2010704
Molecular Weight 348.613 g/mol
SMILES [nH]1cccc1[C@@](C(OCC(Cl)(Cl)Cl)=O)(c1ccccc1)O
SPLASH splash10-0uka-0900000000-878da0ffc19f0d547c7f
Source of Spectrum J-76-6290-3af
Wiley ID 1746784