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Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(difluoromethyl)pyrrol-3-carboxylate
SpectraBase Compound ID LvtwMYUH4xi
InChI InChI=1S/C22H19F2N3O2/c1-2-29-22(28)16-14-27(19(12-25)20(16)21(23)24)18-11-7-6-10-17(18)26-13-15-8-4-3-5-9-15/h3-11,14,21,26H,2,13H2,1H3
InChIKey PYAMCLZFHYBVTF-UHFFFAOYSA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H19F2N3O2
Exact Mass 395.144533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADXzO2mdTHS
Name Ethyl N-[2-(benzylamino)phenyl]-5-cyano-4-(difluoromethyl)pyrrol-3-carboxylate
Alternate Name(s) Ethyl 1-[2-(benzylamino)phenyl]-5-cyano-4-(difluoromethyl)-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F2N3O2
InChI InChI=1S/C22H19F2N3O2/c1-2-29-22(28)16-14-27(19(12-25)20(16)21(23)24)18-11-7-6-10-17(18)26-13-15-8-4-3-5-9-15/h3-11,14,21,26H,2,13H2,1H3
InChIKey PYAMCLZFHYBVTF-UHFFFAOYSA-N
Molecular Weight 395.410 g/mol
SMILES N(c1c(-[n]2cc(c(c2C#N)C(F)F)C(=O)OCC)cccc1)Cc1ccccc1
SPLASH splash10-0005-4009000000-dfd894776145b91c3120
Source of Spectrum F-54-12473-4
Wiley ID 809158