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9,10-diketo-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1-nitro-anthracene-2-carboxamide
SpectraBase Compound ID 1F4wZUB2gku
InChI InChI=1S/C27H18F3N3O5/c1-13-14(15-7-4-8-20(22(15)32-13)27(28,29)30)11-12-31-26(36)19-10-9-18-21(23(19)33(37)38)25(35)17-6-3-2-5-16(17)24(18)34/h2-10,32H,11-12H2,1H3,(H,31,36)
InChIKey KZJWGEPAJQHHLJ-UHFFFAOYSA-N
Mol Weight 521.45 g/mol
Molecular Formula C27H18F3N3O5
Exact Mass 521.119855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AlbgjleZE
Name 9,10-diketo-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1-nitro-anthracene-2-carboxamide
Alternate Name(s) N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1-nitro-9,10-dioxo-anthracene-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18F3N3O5
InChI InChI=1S/C27H18F3N3O5/c1-13-14(15-7-4-8-20(22(15)32-13)27(28,29)30)11-12-31-26(36)19-10-9-18-21(23(19)33(37)38)25(35)17-6-3-2-5-16(17)24(18)34/h2-10,32H,11-12H2,1H3,(H,31,36)
InChIKey KZJWGEPAJQHHLJ-UHFFFAOYSA-N
Molecular Weight 521.452 g/mol
SMILES N(C(c1c(c2C(c3ccccc3C(c2cc1)=O)=O)N(=O)=O)=O)CCc1c([nH]c2c1cccc2C(F)(F)F)C
SPLASH splash10-03fu-1690000000-5f22d7bef957b47a540a
Wiley ID 1442896