| SpectraBase Spectrum ID |
2y4BGjfxIk |
| Name |
1H-Isoindole-5-carboxylic acid, 2-(3,4-dimethylphenyl)-2,3-dihydro-1,3-dioxo-, butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.147058156 u |
| Formula |
C21H21NO4 |
| InChI |
InChI=1S/C21H21NO4/c1-4-5-10-26-21(25)15-7-9-17-18(12-15)20(24)22(19(17)23)16-8-6-13(2)14(3)11-16/h6-9,11-12H,4-5,10H2,1-3H3 |
| InChIKey |
WFZLWCKJBYMTBY-UHFFFAOYSA-N |
| Molecular Weight |
351.402 g/mol |
| SMILES |
CCCCOC(C1=CC=2C(N(C(C2C=C1)=O)C=1C=C(C)C(=CC1)C)=O)=O |
