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1-(6-Chloro-2-iodo-8-(phenylthio)imidazo[1,2-b]pyridazin-3-yl)-2,2-dimethylpropan-1-one
SpectraBase Compound ID 3QJQx09xc9R
InChI InChI=1S/C17H15ClIN3OS/c1-17(2,3)14(23)13-15(19)20-16-11(9-12(18)21-22(13)16)24-10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKey LMBYUGDNGDLVTF-UHFFFAOYSA-N
Mol Weight 471.74 g/mol
Molecular Formula C17H15ClIN3OS
Exact Mass 470.966906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cxwc7NFBLA
Name 1-(6-Chloro-2-iodo-8-(phenylthio)imidazo[1,2-b]pyridazin-3-yl)-2,2-dimethylpropan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClIN3OS
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C17H15ClIN3OS/c1-17(2,3)14(23)13-15(19)20-16-11(9-12(18)21-22(13)16)24-10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKey LMBYUGDNGDLVTF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 471.744 g/mol
Quality 202
Reported Formula C17H15ClIN3OS
SMILES C=1(Cl)C=C(C=2N(N1)C(=C(N2)I)C(C(C)(C)C)=O)SC1=CC=CC=C1
SPLASH splash10-03di-0000900000-37beb2960ca3905db526
Source of Spectrum QE-28-SM66-50a (DOI: 10.1002/chem.202200733)
Wiley ID 1900459