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1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-6-propyl-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
SpectraBase Compound ID 6MweRiAyaiK
InChI InChI=1S/C17H11Cl2F3N4/c1-2-3-10-4-5-11-14(8-23)25-26(16(11)24-10)15-12(18)6-9(7-13(15)19)17(20,21)22/h4-7H,2-3H2,1H3
InChIKey NJJQXHXCSGEPRD-UHFFFAOYSA-N
Mol Weight 399.2 g/mol
Molecular Formula C17H11Cl2F3N4
Exact Mass 398.031286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HYfxmeYzSR
Name 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)-6-propyl-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11Cl2F3N4
InChI InChI=1S/C17H11Cl2F3N4/c1-2-3-10-4-5-11-14(8-23)25-26(16(11)24-10)15-12(18)6-9(7-13(15)19)17(20,21)22/h4-7H,2-3H2,1H3
InChIKey NJJQXHXCSGEPRD-UHFFFAOYSA-N
Instrument Name MicroMass GCT CA 055
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.224
Molecular Weight 399.204 g/mol
Reported Formula C17H11F3Cl2N4
SMILES c1(Cl)cc(cc(c1-[n]1nc(c2c1nc(cc2)CCC)C#N)Cl)C(F)(F)F
SPLASH splash10-00di-0009000000-c159c9178c6d0a9dc4ae
Source of Spectrum ARK-2009-266-22
Wiley ID 1866626