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Cyclohexanecarboxylic acid, 2-[[[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 3IC1NF3dVgJ
InChI InChI=1S/C22H27F3N2O4/c1-13-15(18-11-14(30-2)7-8-19(18)27-13)9-10-26-20(28)16-5-3-4-6-17(16)21(29)31-12-22(23,24)25/h7-8,11,16-17,27H,3-6,9-10,12H2,1-2H3,(H,26,28)
InChIKey ZUXLEFNPFXHKRL-UHFFFAOYSA-N
Mol Weight 440.46 g/mol
Molecular Formula C22H27F3N2O4
Exact Mass 440.192292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4HSwnMeIrO
Name Cyclohexanecarboxylic acid, 2-[[[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]amino]carbonyl]-, 2,2,2-trifluoroethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27F3N2O4
InChI InChI=1S/C22H27F3N2O4/c1-13-15(18-11-14(30-2)7-8-19(18)27-13)9-10-26-20(28)16-5-3-4-6-17(16)21(29)31-12-22(23,24)25/h7-8,11,16-17,27H,3-6,9-10,12H2,1-2H3,(H,26,28)
InChIKey ZUXLEFNPFXHKRL-UHFFFAOYSA-N
Molecular Weight 440.463 g/mol
SMILES N(C(=O)C1C(CCCC1)C(OCC(F)(F)F)=O)CCc1c([nH]c2c1cc(cc2)OC)C
SPLASH splash10-0079-1900000000-fda71c36a5d0bc9338c2
Source of Spectrum IY-1-4691-9
Synonyms 2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester 2,2,2-trifluoroethyl 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate 2,2,2-trifluoroethyl 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohexanecarboxylate 2,2,2-tris(fluoranyl)ethyl 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate
Wiley ID 1654902