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Ethyl 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)butanoate
SpectraBase Compound ID 81P5hKc6VyX
InChI InChI=1S/C15H16F3NO3/c1-3-22-12(20)8-14(21,15(16,17)18)13-9(2)19-11-7-5-4-6-10(11)13/h4-7,19,21H,3,8H2,1-2H3
InChIKey MBNFTXJVAJCSHT-UHFFFAOYSA-N
Mol Weight 315.29 g/mol
Molecular Formula C15H16F3NO3
Exact Mass 315.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYQUECQ14Cq
Name Ethyl 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16F3NO3
InChI InChI=1S/C15H16F3NO3/c1-3-22-12(20)8-14(21,15(16,17)18)13-9(2)19-11-7-5-4-6-10(11)13/h4-7,19,21H,3,8H2,1-2H3
InChIKey MBNFTXJVAJCSHT-UHFFFAOYSA-N
Molecular Weight 315.292 g/mol
SMILES [nH]1c2c(c(C(CC(OCC)=O)(C(F)(F)F)O)c1C)cccc2
SPLASH splash10-0a4i-0942000000-238fc168fd4ec3f3200b
Source of Spectrum CMC-7-910/SM14-58
Synonyms 4,4,4-trifluoro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)butanoic acid ethyl ester 3-Hydroxyl-3-(2-methyl-indol-3-yl)-4,4,4-trifluorobutanoic acid ethyl ester Ethyl 4,4,4-tris(fluoranyl)-3-(2-methyl-1H-indol-3-yl)-3-oxidanyl-butanoate
Wiley ID 1771818