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Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(chlorodifluoromethyl)pyrrol-3-carboxylate
SpectraBase Compound ID IQg4zKsKny
InChI InChI=1S/C22H18ClF2N3O2/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 ITDFBGDQYQUQLJ-UHFFFAOYSA-N
Mol Weight 429.85 g/mol
Molecular Formula C22H18ClF2N3O2
Exact Mass 429.105561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvW7xf8Y210
Name Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(chlorodifluoromethyl)pyrrol-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClF2N3O2
InChI InChI=1S/C22H18ClF2N3O2/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 ITDFBGDQYQUQLJ-UHFFFAOYSA-N
Molecular Weight 429.855 g/mol
SMILES N(c1c(-[n]2c(c(c(c2)C(=O)OCC)C(Cl)(F)F)C#N)cccc1)Cc1ccccc1
SPLASH splash10-0036-2003900000-f61650007cac4b24cccd
Source of Spectrum F-54-12473-4
Synonyms Ethyl 1-[2-(benzylamino)phenyl]-4-[chloro(difluoro)methyl]-5-cyano-1H-pyrrole-3-carboxylate
Wiley ID 809157