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1-tert-Butyl-6-phenyl-4-(chlorodifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID HSGUNrC6Ujh
InChI InChI=1S/C19H16ClF2N3/c1-18(2,3)25-11-13(10-23)16-14(19(20,21)22)9-15(24-17(16)25)12-7-5-4-6-8-12/h4-9,11H,1-3H3
InChIKey OTXRDJYRWKVDJD-UHFFFAOYSA-N
Mol Weight 359.81 g/mol
Molecular Formula C19H16ClF2N3
Exact Mass 359.100082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iux9hEvUmE5
Name 1-tert-Butyl-6-phenyl-4-(chlorodifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClF2N3
InChI InChI=1S/C19H16ClF2N3/c1-18(2,3)25-11-13(10-23)16-14(19(20,21)22)9-15(24-17(16)25)12-7-5-4-6-8-12/h4-9,11H,1-3H3
InChIKey OTXRDJYRWKVDJD-UHFFFAOYSA-N
Molecular Weight 359.808 g/mol
SMILES c12[n](cc(c2c(C(Cl)(F)F)cc(n1)-c1ccccc1)C#N)C(C)(C)C
SPLASH splash10-0uxr-0049000000-5dfea4e55e5c5b2f3a7f
Source of Spectrum F4-41-1854-12e
Wiley ID 1672363