| SpectraBase Spectrum ID |
I9QRyl4lYU0 |
| Name |
2,6-bis(2,4-Dichlorophenoxy)-3-nitrobenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.923817542 u |
| Formula |
C19H8Cl4N2O4 |
| InChI |
InChI=1S/C19H8Cl4N2O4/c20-10-1-4-17(13(22)7-10)28-16-6-3-15(25(26)27)19(12(16)9-24)29-18-5-2-11(21)8-14(18)23/h1-8H |
| InChIKey |
UTRCZMJUOXYBOA-UHFFFAOYSA-N |
| Molecular Weight |
470.095 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC(=C(C1OC=1C=CC(=CC1Cl)Cl)C#N)OC=1C(=CC(=CC1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.902382 |
