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(R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-Iodo-indol-3-yl)propanoate
SpectraBase Compound ID Bmf5Der7203
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/t12-/m1/s1
InChIKey BEDWMXUFZPWAOL-GFCCVEGCSA-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 FxjMyWggZaL
Name (R)-Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-Iodo-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/t12-/m1/s1
InChIKey BEDWMXUFZPWAOL-GFCCVEGCSA-N
Literature Reference DOI 10.1002/asia.201200063
Molecular Weight 413.135 g/mol
SMILES [nH]1cc([C@](O)(C(F)(F)F)C(=O)OCC)c2c1ccc(c2)I
SPLASH splash10-0006-2900000000-67f40dd36908df23b46f
Source of Spectrum CAJ-7-1195/SM9-9e
Synonyms (R)-ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-iodo-1H-indol-3-yl)propanoate (2R)-3,3,3-trifluoro-2-hydroxy-2-(5-iodo-1H-indol-3-yl)propanoic acid ethyl ester Ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-(5-iodo-1H-indol-3-yl)propanoate Ethyl (2R)-3,3,3-tris(fluoranyl)-2-(5-iodanyl-1H-indol-3-yl)-2-oxidanyl-propanoate
Wiley ID 1773245