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1-tert-Butyl-4-(chlorodifluoromethyl)-6-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID 8IPsFnOYO9W
InChI InChI=1S/C19H15Cl2F2N3/c1-18(2,3)26-10-12(9-24)16-14(19(21,22)23)8-15(25-17(16)26)11-4-6-13(20)7-5-11/h4-8,10H,1-3H3
InChIKey KLRUVUGEBAAJTI-UHFFFAOYSA-N
Mol Weight 394.25 g/mol
Molecular Formula C19H15Cl2F2N3
Exact Mass 393.061109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyzJns5kVHr
Name 1-tert-Butyl-4-(chlorodifluoromethyl)-6-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15Cl2F2N3
InChI InChI=1S/C19H15Cl2F2N3/c1-18(2,3)26-10-12(9-24)16-14(19(21,22)23)8-15(25-17(16)26)11-4-6-13(20)7-5-11/h4-8,10H,1-3H3
InChIKey KLRUVUGEBAAJTI-UHFFFAOYSA-N
Molecular Weight 394.253 g/mol
SMILES c12[n](cc(c2c(C(F)(Cl)F)cc(n1)-c1ccc(cc1)Cl)C#N)C(C)(C)C
SPLASH splash10-000i-0009000000-c668a984cd44e725f2b5
Source of Spectrum F-67-5669-7f
Wiley ID 1687127