| SpectraBase Spectrum ID |
5sAlrduoorm |
| Name |
(1H)Isoindole-1,3(2H)-dione, 2-[(3,5-dinitrophenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.049135016 u |
| Formula |
C15H9N3O6 |
| InChI |
InChI=1S/C15H9N3O6/c19-14-12-3-1-2-4-13(12)15(20)16(14)8-9-5-10(17(21)22)7-11(6-9)18(23)24/h1-7H,8H2 |
| InChIKey |
MYJQBBXXBLLTHS-UHFFFAOYSA-N |
| Molecular Weight |
327.252 g/mol |
| SMILES |
C12=C(C=CC=C2)C(=O)N(C1=O)CC1=CC(=CC(=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968562 |
![(1H)Isoindole-1,3(2H)-dione, 2-[(3,5-dinitrophenyl)methyl]-](/api/spectrum/5sAlrduoorm/structure.png?h=300&w=458 "(1H)Isoindole-1,3(2H)-dione, 2-[(3,5-dinitrophenyl)methyl]-")
