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2-[benzyl-[5-(2,2,2-trifluorO-acetyl)-2-vinyl-1H-pyrrol-3-ylmethyl]-amino]-but-2-enedioic acid dimethyl ester
SpectraBase Compound ID HeXMCB1AzN8
InChI InChI=1S/C22H21F3N2O5/c1-4-16-15(10-17(26-16)20(29)22(23,24)25)13-27(12-14-8-6-5-7-9-14)18(21(30)32-3)11-19(28)31-2/h4-11,26H,1,12-13H2,2-3H3/b18-11-
InChIKey UUQVQMFBTJAEBM-WQRHYEAKSA-N
Mol Weight 450.41 g/mol
Molecular Formula C22H21F3N2O5
Exact Mass 450.140256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 278WMqLhJ4o
Name 2-[benzyl-[5-(2,2,2-trifluorO-acetyl)-2-vinyl-1H-pyrrol-3-ylmethyl]-amino]-but-2-enedioic acid dimethyl ester
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Formula C22H21F3N2O5
InChI InChI=1S/C22H21F3N2O5/c1-4-16-15(10-17(26-16)20(29)22(23,24)25)13-27(12-14-8-6-5-7-9-14)18(21(30)32-3)11-19(28)31-2/h4-11,26H,1,12-13H2,2-3H3/b18-11-
InChIKey UUQVQMFBTJAEBM-WQRHYEAKSA-N
Molecular Weight 450.414 g/mol
SMILES [nH]1c(cc(c1C=C)CN(\C(=C/C(OC)=O)C(OC)=O)Cc1ccccc1)C(=O)C(F)(F)F
SPLASH splash10-0006-9342000000-a7b131b35eaed6b92b25
Synonyms Dimethyl (2Z)-2-(benzyl{[5-(trifluoroacetyl)-2-vinyl-1H-pyrrol-3-yl]methyl}amino)-2-butenedioate Dimethyl 2-(benzyl{[5-(trifluoroacetyl)-2-vinyl-1H-pyrrol-3-yl]methyl}amino)-2-butenedioate
Wiley ID 1444906