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Ethyl 4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butanoate
SpectraBase Compound ID K4HxeAlScJ9
InChI InChI=1S/C14H14F3NO3/c1-2-21-12(19)7-13(20,14(15,16)17)10-8-18-11-6-4-3-5-9(10)11/h3-6,8,18,20H,2,7H2,1H3
InChIKey MSMDWJHFVJEJFH-UHFFFAOYSA-N
Mol Weight 301.27 g/mol
Molecular Formula C14H14F3NO3
Exact Mass 301.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQBscMkzXjQ
Name Ethyl 4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butanoate
Alternate Name(s) 4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butanoic acid ethyl ester 3-Hydroxyl-3-(indol-3-yl)-4,4,4-trifluorobutanoic acid ethyl ester Ethyl 4,4,4-tris(fluoranyl)-3-(1H-indol-3-yl)-3-oxidanyl-butanoate
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Formula C14H14F3NO3
InChI InChI=1S/C14H14F3NO3/c1-2-21-12(19)7-13(20,14(15,16)17)10-8-18-11-6-4-3-5-9(10)11/h3-6,8,18,20H,2,7H2,1H3
InChIKey MSMDWJHFVJEJFH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100569
Molecular Weight 301.265 g/mol
SMILES [nH]1c2c(c(C(CC(OCC)=O)(C(F)(F)F)O)c1)cccc2
SPLASH splash10-0006-0942000000-05691fe7f01929cec047
Source of Spectrum CMC-7-910/SM11-49
Wiley ID 1771814