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Ethyl 4,4,4-trifluoro-3-hydroxy-3-(5-iodo-1H-indol-3-yl)butanoate
SpectraBase Compound ID 68LnRvDFNal
InChI InChI=1S/C14H13F3INO3/c1-2-22-12(20)6-13(21,14(15,16)17)10-7-19-11-4-3-8(18)5-9(10)11/h3-5,7,19,21H,2,6H2,1H3
InChIKey QUHDKMJQXMEWPK-UHFFFAOYSA-N
Mol Weight 427.16 g/mol
Molecular Formula C14H13F3INO3
Exact Mass 426.989223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 361swU40Td0
Name Ethyl 4,4,4-trifluoro-3-hydroxy-3-(5-iodo-1H-indol-3-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3INO3
InChI InChI=1S/C14H13F3INO3/c1-2-22-12(20)6-13(21,14(15,16)17)10-7-19-11-4-3-8(18)5-9(10)11/h3-5,7,19,21H,2,6H2,1H3
InChIKey QUHDKMJQXMEWPK-UHFFFAOYSA-N
Molecular Weight 427.162 g/mol
SMILES [nH]1c2ccc(cc2c(C(CC(=O)OCC)(C(F)(F)F)O)c1)I
SPLASH splash10-05fr-0095200000-8b50e2ed9d0f62f34aed
Source of Spectrum KD-16-1552-2
Synonyms 4,4,4-trifluoro-3-hydroxy-3-(5-iodo-1H-indol-3-yl)butanoic acid ethyl ester Ethyl 4,4,4-tris(fluoranyl)-3-(5-iodanyl-1H-indol-3-yl)-3-oxidanyl-butanoate
Wiley ID 1637611