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1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1,3-dioxo-
SpectraBase Compound ID 9TMKpz1ISc5
InChI InChI=1S/C21H15F3N2O5/c1-10-13(15-9-12(31-21(22,23)24)3-5-17(15)25-10)6-7-26-18(27)14-4-2-11(20(29)30)8-16(14)19(26)28/h2-5,8-9,25H,6-7H2,1H3,(H,29,30)
InChIKey NURVCEGCALPSSP-UHFFFAOYSA-N
Mol Weight 432.36 g/mol
Molecular Formula C21H15F3N2O5
Exact Mass 432.093306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWG6kZkNJoW
Name 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1,3-dioxo-
Alternate Name(s) 2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1,3-dioxo-5-isoindolecarboxylic acid 2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1,3-dioxoisoindole-5-carboxylic acid 2-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid 2-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
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Formula C21H15F3N2O5
InChI InChI=1S/C21H15F3N2O5/c1-10-13(15-9-12(31-21(22,23)24)3-5-17(15)25-10)6-7-26-18(27)14-4-2-11(20(29)30)8-16(14)19(26)28/h2-5,8-9,25H,6-7H2,1H3,(H,29,30)
InChIKey NURVCEGCALPSSP-UHFFFAOYSA-N
Molecular Weight 432.355 g/mol
SMILES [nH]1c2c(c(CCN3C(c4cc(C(=O)O)ccc4C3=O)=O)c1C)cc(cc2)OC(F)(F)F
SPLASH splash10-004i-3690000000-43fa917d248a91e47c81
Source of Spectrum IY-1-4629-9
Wiley ID 1654282