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

*Links on SpectraBase are not permalinks.
Ethyl 3-(5-chloro-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxybutanoate
SpectraBase Compound ID 4SJdlas63zi
InChI InChI=1S/C14H13ClF3NO3/c1-2-22-12(20)6-13(21,14(16,17)18)10-7-19-11-4-3-8(15)5-9(10)11/h3-5,7,19,21H,2,6H2,1H3
InChIKey PERFKKGDTFEXKQ-UHFFFAOYSA-N
Mol Weight 335.71 g/mol
Molecular Formula C14H13ClF3NO3
Exact Mass 335.053605 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 C0VWt83lTeC
Name Ethyl 3-(5-chloro-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxybutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClF3NO3
InChI InChI=1S/C14H13ClF3NO3/c1-2-22-12(20)6-13(21,14(16,17)18)10-7-19-11-4-3-8(15)5-9(10)11/h3-5,7,19,21H,2,6H2,1H3
InChIKey PERFKKGDTFEXKQ-UHFFFAOYSA-N
Molecular Weight 335.710 g/mol
SMILES [nH]1c2ccc(cc2c(C(CC(=O)OCC)(C(F)(F)F)O)c1)Cl
SPLASH splash10-0vks-0995000000-3774c397010c5618207e
Source of Spectrum KD-16-1553-2
Synonyms 3-(5-Chloro-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxybutanoic acid ethyl ester Ethyl 3-(5-chloro-1H-indol-3-yl)-4,4,4-trifluoro-3-hydroxy-butanoate Ethyl 3-(5-chloranyl-1H-indol-3-yl)-4,4,4-tris(fluoranyl)-3-oxidanyl-butanoate
Wiley ID 1637605