| SpectraBase Spectrum ID |
APsAhiIr83E |
| Name |
3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[3-[4-(hexyloxy)phenyl]-5-isoxazolyl]methyl]thio]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.169640709 u |
| Formula |
C24H30ClN3O3S |
| InChI |
InChI=1S/C24H30ClN3O3S/c1-5-6-7-8-13-30-18-11-9-17(10-12-18)20-14-19(31-27-20)16-32-21-15-26-28(24(2,3)4)23(29)22(21)25/h9-12,14-15H,5-8,13,16H2,1-4H3 |
| InChIKey |
QZXVUWWQIQYPLT-UHFFFAOYSA-N |
| Molecular Weight |
476.035 g/mol |
| SMILES |
C=1C(=C(C(N(N1)C(C)(C)C)=O)Cl)SCC=1ON=C(C1)C1=CC=C(C=C1)OCCCCCC |
![3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[3-[4-(hexyloxy)phenyl]-5-isoxazolyl]methyl]thio]-](/api/spectrum/APsAhiIr83E/structure.png?h=300&w=458 "3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[3-[4-(hexyloxy)phenyl]-5-isoxazolyl]methyl]thio]-")
