| SpectraBase Spectrum ID |
KZkFINMDfA6 |
| Name |
D,L-1,3-Dioxo-A-methyl-2-isoindolineacetic acid, 2,4,6-trichloroprophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.967540902 u |
| Formula |
C17H10Cl3NO4 |
| InChI |
InChI=1S/C17H10Cl3NO4/c1-8(17(24)25-14-12(19)6-9(18)7-13(14)20)21-15(22)10-4-2-3-5-11(10)16(21)23/h2-8H,1H3 |
| InChIKey |
MZCFUJGWPPHQFM-UHFFFAOYSA-N |
| Molecular Weight |
398.629 g/mol |
| SMILES |
C=12C=CC=CC1C(N(C2=O)C(C(OC=1C(=CC(=CC1Cl)Cl)Cl)=O)C)=O |
