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6-Chloro-8-(phenylthio)-3-pivaloylimidazo[1,2-b]pyridazine-2-carbonitrile
SpectraBase Compound ID BbXIYuijmtW
InChI InChI=1S/C18H15ClN4OS/c1-18(2,3)16(24)15-12(10-20)21-17-13(9-14(19)22-23(15)17)25-11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKey LTGQRUBSIPNTBM-UHFFFAOYSA-N
Mol Weight 370.86 g/mol
Molecular Formula C18H15ClN4OS
Exact Mass 370.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QBH19G90tP
Name 6-Chloro-8-(phenylthio)-3-pivaloylimidazo[1,2-b]pyridazine-2-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClN4OS
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C18H15ClN4OS/c1-18(2,3)16(24)15-12(10-20)21-17-13(9-14(19)22-23(15)17)25-11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKey LTGQRUBSIPNTBM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 370.858 g/mol
Quality 323
Reported Formula C18H15ClN4OS
SMILES C=1(Cl)C=C(C=2N(N1)C(=C(N2)C#N)C(C(C)(C)C)=O)SC1=CC=CC=C1
SPLASH splash10-01p9-4079000000-7e55d847a9f01711d58d
Source of Spectrum QE-28-SM67-50b (DOI: 10.1002/chem.202200733)
Wiley ID 1900460