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2-[1-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)pentylidene]-5-phenyl-1,3-cyclohexanedione
SpectraBase Compound ID 7k1HaNLvpYB
InChI InChI=1S/C29H31F3N2O3/c1-3-4-10-25(28-26(35)15-20(16-27(28)36)19-8-6-5-7-9-19)33-14-13-22-18(2)34-24-12-11-21(17-23(22)24)37-29(30,31)32/h5-9,11-12,17,20,33-34H,3-4,10,13-16H2,1-2H3/b28-25-
InChIKey NGLVFUDSVPDOOM-FVDSYPCUSA-N
Mol Weight 512.57 g/mol
Molecular Formula C29H31F3N2O3
Exact Mass 512.228677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vAQ3FLCDi5
Name 2-[1-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)pentylidene]-5-phenyl-1,3-cyclohexanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31F3N2O3
InChI InChI=1S/C29H31F3N2O3/c1-3-4-10-25(28-26(35)15-20(16-27(28)36)19-8-6-5-7-9-19)33-14-13-22-18(2)34-24-12-11-21(17-23(22)24)37-29(30,31)32/h5-9,11-12,17,20,33-34H,3-4,10,13-16H2,1-2H3/b28-25-
InChIKey NGLVFUDSVPDOOM-FVDSYPCUSA-N
Molecular Weight 512.573 g/mol
SMILES N(C(=C1C(CC(CC1=O)c1ccccc1)=O)CCCC)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-005c-1290000000-cfbeb893d77ccd8d50da
Synonyms 2-[1-[2-(2-methyl-5-trifluoromethoxy-1H-indol-3-yl)-ethylamino]-pentylidene]-5-phenyl-cyclohexane-1,3-dione
Wiley ID 1445153