| SpectraBase Spectrum ID |
AwbsVJBPQCY |
| Name |
1H-Isoindole-2-acetic acid, 4,5,6,7-tetrachloro-2,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.944218634 u |
| Formula |
C14H11Cl4NO4 |
| InChI |
InChI=1S/C14H11Cl4NO4/c1-4(2)3-5(14(22)23)19-12(20)6-7(13(19)21)9(16)11(18)10(17)8(6)15/h4-5H,3H2,1-2H3,(H,22,23) |
| InChIKey |
BHFNZHRVWJEXDC-UHFFFAOYSA-N |
| Molecular Weight |
399.057 g/mol |
| SMILES |
OC(C(N1C(C2=C(C(Cl)=C(C(=C2C1=O)Cl)Cl)Cl)=O)CC(C)C)=O |
