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2-Butanoyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one
SpectraBase Compound ID 39pRyPss0hx
InChI InChI=1S/C22H25F3N2O3/c1-3-5-19(28)21-18(6-4-7-20(21)29)26-11-10-15-13(2)27-17-9-8-14(12-16(15)17)30-22(23,24)25/h8-9,12,26-27H,3-7,10-11H2,1-2H3
InChIKey XILPRFRFFAFPNF-UHFFFAOYSA-N
Mol Weight 422.45 g/mol
Molecular Formula C22H25F3N2O3
Exact Mass 422.181727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbK78gyHY
Name 2-Butanoyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25F3N2O3
InChI InChI=1S/C22H25F3N2O3/c1-3-5-19(28)21-18(6-4-7-20(21)29)26-11-10-15-13(2)27-17-9-8-14(12-16(15)17)30-22(23,24)25/h8-9,12,26-27H,3-7,10-11H2,1-2H3
InChIKey XILPRFRFFAFPNF-UHFFFAOYSA-N
Molecular Weight 422.448 g/mol
SMILES N(C1=C(C(=O)CCC1)C(=O)CCC)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-002f-9820000000-071059e15dec5835cd77
Synonyms 2-Butanoyl-3-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one 2-Butyryl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one 3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-(1-oxobutyl)-1-cyclohex-2-enone
Wiley ID 1445216