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2-{4-[Methyl(1H,1H,2H,2H-perfluorooctyl)amino]phenyl}-1H-imdole-6-carboxylic acid ethyl ester
SpectraBase Compound ID CVdtAWeBHBk
InChI InChI=1S/C26H21F13N2O2/c1-3-43-20(42)16-5-4-15-12-18(40-19(15)13-16)14-6-8-17(9-7-14)41(2)11-10-21(27,28)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39/h4-9,12-13,40H,3,10-11H2,1-2H3
InChIKey ORLMMDPREOFQPG-UHFFFAOYSA-N
Mol Weight 640.45 g/mol
Molecular Formula C26H21F13N2O2
Exact Mass 640.139544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HesLXzaZg32
Name 2-{4-[Methyl(1H,1H,2H,2H-perfluorooctyl)amino]phenyl}-1H-imdole-6-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C26H21F13N2O2
InChI InChI=1S/C26H21F13N2O2/c1-3-43-20(42)16-5-4-15-12-18(40-19(15)13-16)14-6-8-17(9-7-14)41(2)11-10-21(27,28)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39/h4-9,12-13,40H,3,10-11H2,1-2H3
InChIKey ORLMMDPREOFQPG-UHFFFAOYSA-N
Molecular Weight 640.445 g/mol
SMILES [nH]1c2cc(ccc2cc1-c1ccc(N(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C)cc1)C(=O)OCC
SPLASH splash10-0006-0000009000-d329e39730e585ef1fab
Source of Spectrum C3-24-984-2
Synonyms 2-{4-[Methyl(1H,1H,2H,2H-perfluorooctyl)amino]phenyl}-1H-indole-6-carboxylic acid ethyl ester
Wiley ID 879735