| SpectraBase Spectrum ID |
KVlIU6tgxus |
| Name |
5-Bromo-6-nitro-1H-isoindole-1,3(2H)-dione, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.938184264 u |
| Formula |
C10H5BrN2O5 |
| InChI |
InChI=1S/C10H5BrN2O5/c1-4(14)12-9(15)5-2-7(11)8(13(17)18)3-6(5)10(12)16/h2-3H,1H3 |
| InChIKey |
LYCZZSRPDGJOCY-UHFFFAOYSA-N |
| Molecular Weight |
313.063 g/mol |
| SMILES |
C1(Br)=CC2=C(C=C1N(=O)=O)C(=O)N(C2=O)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800089 |
