SpectraBase Compound ID | EBHnBgftCoP |
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InChI | InChI=1S/C10H4Cl2N2/c11-9-2-1-3-10(12)8(9)4-7(5-13)6-14/h1-4H |
InChIKey | JONNMZZDUHHEOH-UHFFFAOYSA-N |
Mol Weight | 223.06 g/mol |
Molecular Formula | C10H4Cl2N2 |
Exact Mass | 221.975154 g/mol |
SpectraBase Spectrum ID | 33r0XFmNfZ1 |
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Name | (2,6-Dichlorobenzylidene)malononitrile |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 221.975153537 u |
Formula | C10H4Cl2N2 |
InChI | InChI=1S/C10H4Cl2N2/c11-9-2-1-3-10(12)8(9)4-7(5-13)6-14/h1-4H |
InChIKey | JONNMZZDUHHEOH-UHFFFAOYSA-N |
Molecular Weight | 223.062 g/mol |
SMILES | C1=C(C(=C(C=C1)Cl)C=C(C#N)C#N)Cl |
Spectrum/Structure Validation Score (Raman) | 0.909812 |