| SpectraBase Spectrum ID |
Kn8MZcbYcf4 |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-[(3-bromo-2-methyl-6-nitrophenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.990219838 u |
| Formula |
C16H11BrN2O4 |
| InChI |
InChI=1S/C16H11BrN2O4/c1-9-12(14(19(22)23)7-6-13(9)17)8-18-15(20)10-4-2-3-5-11(10)16(18)21/h2-7H,8H2,1H3 |
| InChIKey |
AQMBLJJDKONBHN-UHFFFAOYSA-N |
| Molecular Weight |
375.178 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CC1=C(N(=O)=O)C=CC(=C1C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956175 |
![1H-Isoindole-1,3(2H)-dione, 2-[(3-bromo-2-methyl-6-nitrophenyl)methyl]-](/api/spectrum/Kn8MZcbYcf4/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[(3-bromo-2-methyl-6-nitrophenyl)methyl]-")
