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Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-iodo-1H-indol-3-yl)propanoate
SpectraBase Compound ID 14XUopac3u
InChI InChI=1S/C13H11F3INO3/c1-2-21-11(19)12(20,13(14,15)16)9-6-18-10-4-3-7(17)5-8(9)10/h3-6,18,20H,2H2,1H3
InChIKey BEDWMXUFZPWAOL-UHFFFAOYSA-N
Mol Weight 413.13 g/mol
Molecular Formula C13H11F3INO3
Exact Mass 412.973573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HzdIr0SiWr
Name Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-iodo-1H-indol-3-yl)propanoate
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Formula C13H11F3INO3
InChI InChI=1S/C13H11F3INO3/c1-2-21-11(19)12(20,13(14,15)16)9-6-18-10-4-3-7(17)5-8(9)10/h3-6,18,20H,2H2,1H3
InChIKey BEDWMXUFZPWAOL-UHFFFAOYSA-N
Molecular Weight 413.135 g/mol
SMILES [nH]1c2ccc(cc2c(C(C(=O)OCC)(C(F)(F)F)O)c1)I
SPLASH splash10-0006-0915300000-efeb4562500e8c21b257
Source of Spectrum KD-16-1551-1
Synonyms 3,3,3-trifluoro-2-hydroxy-2-(5-iodo-1H-indol-3-yl)propanoic acid ethyl ester Ethyl 3,3,3-tris(fluoranyl)-2-(5-iodanyl-1H-indol-3-yl)-2-oxidanyl-propanoate
Wiley ID 1637624