| SpectraBase Spectrum ID |
FhGYG7mEsUG |
| Name |
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-[4-[(pentyloxy)carbonyl]phenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.121237330 u |
| Formula |
C21H19NO6 |
| InChI |
InChI=1S/C21H19NO6/c1-2-3-4-11-28-21(27)13-5-8-15(9-6-13)22-18(23)16-10-7-14(20(25)26)12-17(16)19(22)24/h5-10,12H,2-4,11H2,1H3,(H,25,26) |
| InChIKey |
LDLPAHUJHBIHIG-UHFFFAOYSA-N |
| Molecular Weight |
381.384 g/mol |
| SMILES |
OC(C1=CC=2C(N(C(C2C=C1)=O)C=1C=CC(C(=O)OCCCCC)=CC1)=O)=O |
![1H-isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-[4-[(pentyloxy)carbonyl]phenyl]-](/api/spectrum/FhGYG7mEsUG/structure.png?h=300&w=458 "1H-isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-[4-[(pentyloxy)carbonyl]phenyl]-")
