| SpectraBase Spectrum ID |
LMv7DFOONgp |
| Name |
1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid, 3-methylbutyl 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/c1-13(2)9-10-26-21(25)15-7-8-17-18(12-15)20(24)22(19(17)23)16-6-4-5-14(3)11-16/h4-8,11-13H,9-10H2,1-3H3 |
| InChIKey |
QTPJHWMQCRLTLD-UHFFFAOYSA-N |
| Molecular Weight |
351.402 g/mol |
| SMILES |
C12=C(C(=O)N(C2=O)C2=CC(=CC=C2)C)C=CC(=C1)C(OCCC(C)C)=O |
