| SpectraBase Spectrum ID |
DuTiEwUX8Nq |
| Name |
2-Chloro-N-(5,8-dioxonaphthalen-1-yl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.019270819 u |
| Formula |
C12H8ClNO3 |
| InChI |
InChI=1S/C12H8ClNO3/c13-6-11(17)14-8-3-1-2-7-9(15)4-5-10(16)12(7)8/h1-5H,6H2,(H,14,17) |
| InChIKey |
AYKGUUZSEHCUDV-UHFFFAOYSA-N |
| Molecular Weight |
249.653 g/mol |
| SMILES |
C1=CC(C=2C(C1=O)=CC=CC2NC(CCl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988318 |
