SpectraBase Compound ID | 1yPtmJRsZ4H |
---|---|
InChI | InChI=1S/C6H3Cl2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H |
InChIKey | ICYPOGVRNGUWNP-UHFFFAOYSA-N |
Mol Weight | 176.0 g/mol |
Molecular Formula | C6H3Cl2NO |
Exact Mass | 174.959169 g/mol |
SpectraBase Spectrum ID | 7EXaJ9FQGSV |
---|---|
Name | 2,6-Dichloronitrosobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.959169120 u |
Formula | C6H3Cl2NO |
InChI | InChI=1S/C6H3Cl2NO/c7-4-2-1-3-5(8)6(4)9-10/h1-3H |
InChIKey | ICYPOGVRNGUWNP-UHFFFAOYSA-N |
Molecular Weight | 176.002 g/mol |
SMILES | C1(=C(C(=CC=C1)Cl)N=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915977 |