| SpectraBase Spectrum ID |
Ir1sR1usfGU |
| Name |
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-[(3-methylbutoxy)carbonyl]phenyl]-1,3-dioxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.136887394 u |
| Formula |
C22H21NO6 |
| InChI |
InChI=1S/C22H21NO6/c1-13(2)10-11-29-22(27)14-4-7-16(8-5-14)23-19(24)17-9-6-15(21(26)28-3)12-18(17)20(23)25/h4-9,12-13H,10-11H2,1-3H3 |
| InChIKey |
XRKSVVLEMBVRBL-UHFFFAOYSA-N |
| Molecular Weight |
395.411 g/mol |
| SMILES |
CC(CCOC(C=1C=CC(N2C(C3=CC(C(=O)OC)=CC=C3C2=O)=O)=CC1)=O)C |
![1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-[(3-methylbutoxy)carbonyl]phenyl]-1,3-dioxo-, methyl ester](/api/spectrum/Ir1sR1usfGU/structure.png?h=300&w=458 "1H-isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-[(3-methylbutoxy)carbonyl]phenyl]-1,3-dioxo-, methyl ester")
