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(2Z)-3-hydroxy-2-(iodomethylidene)-3-[4-(trifluoromethyl)phenyl]butanoic acid ethyl ester
SpectraBase Compound ID A8nsz1tbcZg
InChI InChI=1S/C14H14F3IO3/c1-3-21-12(19)11(8-18)13(2,20)9-4-6-10(7-5-9)14(15,16)17/h4-8,20H,3H2,1-2H3/b11-8+
InChIKey DNHDCOPJPRFTKQ-DHZHZOJOSA-N
Mol Weight 414.16 g/mol
Molecular Formula C14H14F3IO3
Exact Mass 413.993974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeOwBIvq82f
Name (2Z)-3-hydroxy-2-(iodomethylidene)-3-[4-(trifluoromethyl)phenyl]butanoic acid ethyl ester
Alternate Name(s) (Z)-2-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-iodo-acrylic acid ethyl ester Ethyl (2Z)-2-(iodanylmethylidene)-3-oxidanyl-3-[4-(trifluoromethyl)phenyl]butanoate Ethyl (2Z)-3-hydroxy-2-(iodomethylene)-3-[4-(trifluoromethyl)phenyl]butanoate Ethyl (2Z)-3-hydroxy-2-(iodomethylidene)-3-[4-(trifluoromethyl)phenyl]butanoate
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Formula C14H14F3IO3
InChI InChI=1S/C14H14F3IO3/c1-3-21-12(19)11(8-18)13(2,20)9-4-6-10(7-5-9)14(15,16)17/h4-8,20H,3H2,1-2H3/b11-8+
InChIKey DNHDCOPJPRFTKQ-DHZHZOJOSA-N
Molecular Weight 414.163 g/mol
SMILES OC(\C(C(=O)OCC)=C\I)(C)c1ccc(cc1)C(F)(F)F
SPLASH splash10-00di-0094000000-58b3b923101691382c62
Source of Spectrum D1-2007-61-13
Wiley ID 1614403