| SpectraBase Spectrum ID |
6LKkHm8fEyw |
| Name |
N,N'-bis-(2-Chloro-5-nitro-phenyl)-5-nitro-isophthalamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.998467726 u |
| Formula |
C20H11Cl2N5O8 |
| InChI |
InChI=1S/C20H11Cl2N5O8/c21-15-3-1-12(25(30)31)8-17(15)23-19(28)10-5-11(7-14(6-10)27(34)35)20(29)24-18-9-13(26(32)33)2-4-16(18)22/h1-9H,(H,23,28)(H,24,29) |
| InChIKey |
GDZGALNTCDZPRK-UHFFFAOYSA-N |
| Molecular Weight |
520.241 g/mol |
| SMILES |
C=1(C=C(C=C(C1)C(NC=1C(=CC=C(C1)N(=O)=O)Cl)=O)C(NC=1C=C(C=CC1Cl)N(=O)=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952795 |
