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4-(1,1-Difluorobut-3-enyl)-1-tert-butyl-6-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID FCuli8tG3Tg
InChI InChI=1S/C22H20ClF2N3/c1-5-10-22(24,25)17-11-18(14-6-8-16(23)9-7-14)27-20-19(17)15(12-26)13-28(20)21(2,3)4/h5-9,11,13H,1,10H2,2-4H3
InChIKey IEVQGHQMGUNPLO-UHFFFAOYSA-N
Mol Weight 399.87 g/mol
Molecular Formula C22H20ClF2N3
Exact Mass 399.131382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PKPswkFmeM
Name 4-(1,1-Difluorobut-3-enyl)-1-tert-butyl-6-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClF2N3
InChI InChI=1S/C22H20ClF2N3/c1-5-10-22(24,25)17-11-18(14-6-8-16(23)9-7-14)27-20-19(17)15(12-26)13-28(20)21(2,3)4/h5-9,11,13H,1,10H2,2-4H3
InChIKey IEVQGHQMGUNPLO-UHFFFAOYSA-N
Molecular Weight 399.873 g/mol
SMILES c12[n](cc(c2c(C(F)(F)CC=C)cc(n1)-c1ccc(cc1)Cl)C#N)C(C)(C)C
SPLASH splash10-0udj-0009100000-77617ce8355f1cbcdd84
Source of Spectrum F-67-5673-13e
Wiley ID 1687208