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Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(trifluoromethyl)pyrrol-3-carboxylate
SpectraBase Compound ID HzsBNvY473g
InChI InChI=1S/C22H18F3N3O2/c1-2-30-21(29)16-14-28(19(12-26)20(16)22(23,24)25)18-11-7-6-10-17(18)27-13-15-8-4-3-5-9-15/h3-11,14,27H,2,13H2,1H3
InChIKey UKBWAGNIXAONFA-UHFFFAOYSA-N
Mol Weight 413.4 g/mol
Molecular Formula C22H18F3N3O2
Exact Mass 413.135111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CrCdPSQXT9
Name Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(trifluoromethyl)pyrrol-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18F3N3O2
InChI InChI=1S/C22H18F3N3O2/c1-2-30-21(29)16-14-28(19(12-26)20(16)22(23,24)25)18-11-7-6-10-17(18)27-13-15-8-4-3-5-9-15/h3-11,14,27H,2,13H2,1H3
InChIKey UKBWAGNIXAONFA-UHFFFAOYSA-N
Molecular Weight 413.400 g/mol
SMILES N(c1c(-[n]2c(c(c(c2)C(=O)OCC)C(F)(F)F)C#N)cccc1)Cc1ccccc1
SPLASH splash10-01ox-7003900000-30328be9fa05cbf85e72
Source of Spectrum F-54-12473-4
Synonyms Ethyl 1-[2-(benzylamino)phenyl]-5-cyano-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
Wiley ID 809156