SpectraBase Compound ID | ISMylNqfVTH |
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InChI | InChI=1S/C6H2Cl2N2O3/c7-3-1-4(8)6(10(12)13)2-5(3)9-11/h1-2H |
InChIKey | OYDORASIZVIQDV-UHFFFAOYSA-N |
Mol Weight | 221.0 g/mol |
Molecular Formula | C6H2Cl2N2O3 |
Exact Mass | 219.944247 g/mol |
SpectraBase Spectrum ID | 8cEPWIV80P7 |
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Name | 1,5-Dichloro-2-nitro-4-nitrosobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 219.944247329 u |
Formula | C6H2Cl2N2O3 |
InChI | InChI=1S/C6H2Cl2N2O3/c7-3-1-4(8)6(10(12)13)2-5(3)9-11/h1-2H |
InChIKey | OYDORASIZVIQDV-UHFFFAOYSA-N |
Molecular Weight | 220.999 g/mol |
SMILES | C1(N(=O)=O)=CC(N=O)=C(C=C1Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90548 |