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3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoic acid ethyl ester
SpectraBase Compound ID DEBbM4cOgEs
InChI InChI=1S/C13H12F3NO3/c1-2-20-11(18)12(19,13(14,15)16)9-7-17-10-6-4-3-5-8(9)10/h3-7,17,19H,2H2,1H3
InChIKey CYSKFJCLFAQXJX-UHFFFAOYSA-N
Mol Weight 287.24 g/mol
Molecular Formula C13H12F3NO3
Exact Mass 287.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CTK4bcxRsm
Name 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoic acid ethyl ester
Alternate Name(s) Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate 2-Hydroxyl-2-(indol-3-yl)-3,3,3-trifluoropropionic acid ethyl ester 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propionic acid ethyl ester Ethyl 3,3,3-tris(fluoranyl)-2-(1H-indol-3-yl)-2-oxidanyl-propanoate
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Formula C13H12F3NO3
InChI InChI=1S/C13H12F3NO3/c1-2-20-11(18)12(19,13(14,15)16)9-7-17-10-6-4-3-5-8(9)10/h3-7,17,19H,2H2,1H3
InChIKey CYSKFJCLFAQXJX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100569
Molecular Weight 287.238 g/mol
SMILES [nH]1cc(C(C(F)(F)F)(O)C(=O)OCC)c2c1cccc2
SPLASH splash10-03y3-1890000000-85e0c2164ce1d8d69842
Source of Spectrum CMC-7-910/SM4-19
Wiley ID 1771798