| SpectraBase Spectrum ID |
E6zGuo11fF3 |
| Name |
Isoindole-1,3(1H,3H)-dione, 5-amino-2-(1,3-dihydro-2-methyl-1,3-dioxoisoindol-5-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.074955842 u |
| Formula |
C17H11N3O4 |
| InChI |
InChI=1S/C17H11N3O4/c1-19-14(21)10-5-3-9(7-13(10)15(19)22)20-16(23)11-4-2-8(18)6-12(11)17(20)24/h2-7H,18H2,1H3 |
| InChIKey |
YXNKAXMWFGPXQU-UHFFFAOYSA-N |
| Molecular Weight |
321.292 g/mol |
| SMILES |
C1=CC2=C(C(N(C2=O)C2=CC=3C(N(C(=O)C3C=C2)C)=O)=O)C=C1N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962639 |
