For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Butanoyl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one
SpectraBase Compound ID EEQBm1uuOma
InChI InChI=1S/C24H29F3N2O3/c1-5-6-20(30)22-19(12-23(3,4)13-21(22)31)28-10-9-16-14(2)29-18-8-7-15(11-17(16)18)32-24(25,26)27/h7-8,11,28-29H,5-6,9-10,12-13H2,1-4H3
InChIKey OKXIMDYASLYKHQ-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C24H29F3N2O3
Exact Mass 450.213027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Y3VT1APAnf
Name 2-Butanoyl-5,5-dimethyl-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 C24H29F3N2O3
InChI InChI=1S/C24H29F3N2O3/c1-5-6-20(30)22-19(12-23(3,4)13-21(22)31)28-10-9-16-14(2)29-18-8-7-15(11-17(16)18)32-24(25,26)27/h7-8,11,28-29H,5-6,9-10,12-13H2,1-4H3
InChIKey OKXIMDYASLYKHQ-UHFFFAOYSA-N
Molecular Weight 450.502 g/mol
SMILES N(C1=C(C(CC(C)(C)C1)=O)C(=O)CCC)CCc1c([nH]c2c1cc(cc2)OC(F)(F)F)C
SPLASH splash10-0fi0-1390200000-44ec72b7d22a5b39a0d3
Synonyms 2-Butanoyl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one 2-Butyryl-5,5-dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]cyclohex-2-en-1-one 5,5-Dimethyl-3-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylamino]-2-(1-oxobutyl)-1-cyclohex-2-enone
Wiley ID 1445166