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(R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-chloro-indol-3-yl)propanoate
SpectraBase Compound ID 1UJx06scQz9
InChI InChI=1S/C13H11ClF3NO3/c1-2-21-11(19)12(20,13(15,16)17)9-6-18-10-4-3-7(14)5-8(9)10/h3-6,18,20H,2H2,1H3/t12-/m1/s1
InChIKey OLRGYRGXTOWWEB-GFCCVEGCSA-N
Mol Weight 321.68 g/mol
Molecular Formula C13H11ClF3NO3
Exact Mass 321.037955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BfqbQ2EVWx
Name (R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-chloro-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClF3NO3
InChI InChI=1S/C13H11ClF3NO3/c1-2-21-11(19)12(20,13(15,16)17)9-6-18-10-4-3-7(14)5-8(9)10/h3-6,18,20H,2H2,1H3/t12-/m1/s1
InChIKey OLRGYRGXTOWWEB-GFCCVEGCSA-N
Literature Reference DOI 10.1002/asia.201200063
Molecular Weight 321.683 g/mol
SMILES [nH]1cc([C@](O)(C(F)(F)F)C(=O)OCC)c2c1ccc(c2)Cl
SPLASH splash10-0udi-1930000000-e1bb5455fa7119fd67bb
Source of Spectrum CAJ-7-1195/SM8-9c
Synonyms (R)-ethyl 2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate (2R)-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester Ethyl (2R)-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate Ethyl (2R)-2-(5-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propanoate Ethyl (2R)-2-(5-chloranyl-1H-indol-3-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
Wiley ID 1773243