SpectraBase Compound ID | 3NvJn4eZb3e |
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InChI | InChI=1S/CHCl2NO2/c2-1(3)4(5)6/h1H |
InChIKey | XUNYLLBGLKGFHO-UHFFFAOYSA-N |
Mol Weight | 129.93 g/mol |
Molecular Formula | CHCl2NO2 |
Exact Mass | 128.938434 g/mol |
SpectraBase Spectrum ID | 8Wc1fKfMERf |
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Name | Methane, dichloronitro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 128.938433674 u |
Formula | CHCl2NO2 |
InChI | InChI=1S/CHCl2NO2/c2-1(3)4(5)6/h1H |
InChIKey | XUNYLLBGLKGFHO-UHFFFAOYSA-N |
SMILES | C(N(=O)=O)(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852104 |