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7-Benzoyl-6-chloro-3-pivaloyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine-2-carbonitrile
SpectraBase Compound ID 6n55q3W8ZMd
InChI InChI=1S/C23H22ClN5O2/c1-23(2,3)20(31)17-15(13-25)26-22-18(28-11-7-8-12-28)16(21(24)27-29(17)22)19(30)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKey MCGPMDQLXXBGLO-UHFFFAOYSA-N
Mol Weight 435.92 g/mol
Molecular Formula C23H22ClN5O2
Exact Mass 435.146203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jg5nAaLMqW7
Name 7-Benzoyl-6-chloro-3-pivaloyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine-2-carbonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.146202666 u
Formula C23H22ClN5O2
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C23H22ClN5O2/c1-23(2,3)20(31)17-15(13-25)26-22-18(28-11-7-8-12-28)16(21(24)27-29(17)22)19(30)14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKey MCGPMDQLXXBGLO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 435.915 g/mol
Quality 217
Reported Formula C23H22ClN5O2
SMILES C1(=CC=CC=C1)C(=O)C1=C(C=2N(N=C1Cl)C(=C(N2)C#N)C(C(C)(C)C)=O)N1CCCC1
SPLASH splash10-0pb9-6501900000-1922011cc0531436ad32
Source of Spectrum QE-28-SM73-55b (DOI: 10.1002/chem.202200733)
Wiley ID 1900466