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2-Butanoyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-phenyl-cyclohex-2-en-1-one
SpectraBase Compound ID LLV5qok6JTi
InChI InChI=1S/C28H29F3N2O3/c1-3-7-25(34)27-24(14-19(15-26(27)35)18-8-5-4-6-9-18)32-13-12-21-17(2)33-23-11-10-20(16-22(21)23)36-28(29,30)31/h4-6,8-11,16,19,32-33H,3,7,12-15H2,1-2H3
InChIKey KJVWLEVGBGEXJL-UHFFFAOYSA-N
Mol Weight 498.55 g/mol
Molecular Formula C28H29F3N2O3
Exact Mass 498.213027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dy68Riq2w5
Name 2-Butanoyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-phenyl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29F3N2O3
InChI InChI=1S/C28H29F3N2O3/c1-3-7-25(34)27-24(14-19(15-26(27)35)18-8-5-4-6-9-18)32-13-12-21-17(2)33-23-11-10-20(16-22(21)23)36-28(29,30)31/h4-6,8-11,16,19,32-33H,3,7,12-15H2,1-2H3
InChIKey KJVWLEVGBGEXJL-UHFFFAOYSA-N
Molecular Weight 498.546 g/mol
SMILES N(C1=C(C(CC(c2ccccc2)C1)=O)C(=O)CCC)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-002f-5590000000-6fa5aaa1c4d8ce6d0605
Synonyms 2-Butanoyl-3-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]-5-phenyl-cyclohex-2-en-1-one 2-Butyryl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-5-phenyl-cyclohex-2-en-1-one 3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-(1-oxobutyl)-5-phenyl-1-cyclohex-2-enone
Wiley ID 1445220