| SpectraBase Spectrum ID |
HX05RM2jNo3 |
| Name |
{[3-(2,6-Dichlorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, 3,3-dimethyl-2-oxobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.094993887 u |
| Formula |
C25H24Cl2O6 |
| InChI |
InChI=1S/C25H24Cl2O6/c1-14-16-9-8-15(31-13-23(29)32-12-22(28)25(2,3)4)10-21(16)33-24(30)17(14)11-18-19(26)6-5-7-20(18)27/h5-10H,11-13H2,1-4H3 |
| InChIKey |
QCEGWGUYGSLZLG-UHFFFAOYSA-N |
| Molecular Weight |
491.367 g/mol |
| SMILES |
C=12OC(C(=C(C1C=CC(=C2)OCC(OCC(C(C)(C)C)=O)=O)C)CC=1C(=CC=CC1Cl)Cl)=O |
![{[3-(2,6-dichlorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, 3,3-dimethyl-2-oxobutyl ester](/api/spectrum/HX05RM2jNo3/structure.png?h=300&w=458 "{[3-(2,6-dichlorobenzyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy}acetic acid, 3,3-dimethyl-2-oxobutyl ester")
