| SpectraBase Spectrum ID |
3WRKvDUMTKh |
| Name |
7-Allyl-6-chloro-8-(phenylsulfinyl)-3-pivaloylimidazo[1,2-b]pyridazine-2-carbonitrile |
| Appearance |
Light-yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.091724740 u |
| Formula |
C21H19ClN4O2S |
| GC Column |
HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C21H19ClN4O2S/c1-5-9-14-17(29(28)13-10-7-6-8-11-13)20-24-15(12-23)16(18(27)21(2,3)4)26(20)25-19(14)22/h5-8,10-11H,1,9H2,2-4H3 |
| InChIKey |
WGRWCNRSBHCLRJ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202200733 |
| Molecular Weight |
426.922 g/mol |
| Quality |
531 |
| Reported Formula |
C21H19ClN4O2S |
| SMILES |
C(CC1=C(C=2N(N=C1Cl)C(=C(N2)C#N)C(C(C)(C)C)=O)S(=O)C1=CC=CC=C1)=C |
| SPLASH |
splash10-0aov-4009300000-2867000938daddbb2343 |
| Source of Spectrum |
QE-28-SM72-54b (DOI: 10.1002/chem.202200733) |
| Wiley ID |
1900464 |
![7-Allyl-6-chloro-8-(phenylsulfinyl)-3-pivaloylimidazo[1,2-b]pyridazine-2-carbonitrile](/api/spectrum/3WRKvDUMTKh/structure.png?h=300&w=458 "7-Allyl-6-chloro-8-(phenylsulfinyl)-3-pivaloylimidazo[1,2-b]pyridazine-2-carbonitrile")
