For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-bromo-indol-3-yl)propanoate
SpectraBase Compound ID 1to5k2ge2us
InChI InChI=1S/C13H11BrF3NO3/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 KMMHPOPIWLOFET-GFCCVEGCSA-N
Mol Weight 366.13 g/mol
Molecular Formula C13H11BrF3NO3
Exact Mass 364.987441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A4yJNwzuGSL
Name (R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-bromo-indol-3-yl)propanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11BrF3NO3
InChI InChI=1S/C13H11BrF3NO3/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 KMMHPOPIWLOFET-GFCCVEGCSA-N
Literature Reference DOI 10.1002/asia.201200063
Molecular Weight 366.134 g/mol
SMILES [nH]1cc([C@](O)(C(F)(F)F)C(=O)OCC)c2c1ccc(c2)Br
SPLASH splash10-0006-1792000000-517960642504f2d5ca09
Source of Spectrum CAJ-7-1195/SM8-9d
Synonyms (R)-ethyl 2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate (2R)-2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester Ethyl (2R)-2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate Ethyl (2R)-2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propanoate Ethyl (2R)-2-(5-bromanyl-1H-indol-3-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
Wiley ID 1773244