SpectraBase Spectrum ID |
5psKGUpr0CD |
Name |
Benzamide, 2,4-dichloro-N-(4-nitrophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
309.991197523 u |
Formula |
C13H8Cl2N2O3 |
InChI |
InChI=1S/C13H8Cl2N2O3/c14-8-1-6-11(12(15)7-8)13(18)16-9-2-4-10(5-3-9)17(19)20/h1-7H,(H,16,18) |
InChIKey |
RNVHVBKWFNNVGJ-UHFFFAOYSA-N |
SMILES |
N(C1=CC=C(C=C1)[N+]([O-])=O)C(C1=C(C=C(C=C1)Cl)Cl)=O |
Spectrum/Structure Validation Score (Raman) |
0.956402 |