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-cyano-indol-3-yl)propanoate
SpectraBase Compound ID HF1xpc3OL4j
InChI InChI=1S/C14H11F3N2O3/c1-2-22-12(20)13(21,14(15,16)17)10-7-19-11-4-3-8(6-18)5-9(10)11/h3-5,7,19,21H,2H2,1H3/t13-/m1/s1
InChIKey OOMLPVFNPLVKOX-CYBMUJFWSA-N
Mol Weight 312.25 g/mol
Molecular Formula C14H11F3N2O3
Exact Mass 312.072177 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 4w3EGBpEbmj
Name (R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-cyano-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F3N2O3
InChI InChI=1S/C14H11F3N2O3/c1-2-22-12(20)13(21,14(15,16)17)10-7-19-11-4-3-8(6-18)5-9(10)11/h3-5,7,19,21H,2H2,1H3/t13-/m1/s1
InChIKey OOMLPVFNPLVKOX-CYBMUJFWSA-N
Literature Reference DOI 10.1002/asia.201200063
Molecular Weight 312.248 g/mol
SMILES [nH]1cc([C@](O)(C(F)(F)F)C(=O)OCC)c2c1ccc(c2)C#N
SPLASH splash10-014u-0930000000-e571342510b0de3edad2
Source of Spectrum CAJ-7-1195/SM9-9f
Synonyms (R)-ethyl 2-(5-cyano-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate (2R)-2-(5-cyano-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester Ethyl (2R)-2-(5-cyano-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate Ethyl (2R)-2-(5-cyano-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propanoate Ethyl (2R)-2-(5-cyano-1H-indol-3-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
Wiley ID 1773246