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2-[2'-{2"-[1'-(Dimethylamino)methylene-3",3',3'-trifluoro-2''-oxopropyl]-1H-indol-3'-yl}ethyl]-isoindole-1,3-dione
SpectraBase Compound ID 2EQSxBjDBCo
InChI InChI=1S/C24H20F3N3O3/c1-29(2)13-18(21(31)24(25,26)27)20-15(14-7-5-6-10-19(14)28-20)11-12-30-22(32)16-8-3-4-9-17(16)23(30)33/h3-10,13,28H,11-12H2,1-2H3/b18-13-
InChIKey HVWGUOCIYZWYLV-AQTBWJFISA-N
Mol Weight 455.44 g/mol
Molecular Formula C24H20F3N3O3
Exact Mass 455.145676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DJqpiP4VcT
Name 2-[2'-{2"-[1'-(Dimethylamino)methylene-3",3',3'-trifluoro-2''-oxopropyl]-1H-indol-3'-yl}ethyl]-isoindole-1,3-dione
Alternate Name(s) 1H-Isoindole-1,3(2H)-dione 2-(2-{2-[(Z)-2-(dimethylamino)-1-(trifluoroacetyl)ethenyl]-1H-indol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20F3N3O3
InChI InChI=1S/C24H20F3N3O3/c1-29(2)13-18(21(31)24(25,26)27)20-15(14-7-5-6-10-19(14)28-20)11-12-30-22(32)16-8-3-4-9-17(16)23(30)33/h3-10,13,28H,11-12H2,1-2H3/b18-13-
InChIKey HVWGUOCIYZWYLV-AQTBWJFISA-N
Molecular Weight 455.437 g/mol
SMILES [nH]1c2ccccc2c(c1\C(C(C(F)(F)F)=O)=C\N(C)C)CCN1C(c2ccccc2C1=O)=O
SPLASH splash10-06r2-0490300000-3f7d77aa4c8e3bec923e
Source of Spectrum AH-133-155-3
Wiley ID 1546642