| SpectraBase Compound ID | 5a5fqR9enZf |
|---|---|
| InChI | InChI=1S/C8H2Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13/h13-14H |
| InChIKey | QNDGAROPZNKYNK-UHFFFAOYSA-N |
| Mol Weight | 229.02 g/mol |
| Molecular Formula | C8H2Cl2N2O2 |
| Exact Mass | 227.949333 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CHOXjirvfC |
|---|---|
| Name | 5,6-Dichlor-2,3-dicyano-para-hydrochinon |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.949332710 u |
| Formula | C8H2Cl2N2O2 |
| InChI | InChI=1S/C8H2Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13/h13-14H |
| InChIKey | QNDGAROPZNKYNK-UHFFFAOYSA-N |
| Molecular Weight | 229.022 g/mol |
| SMILES | C(#N)C=1C(=C(C(=C(C1O)Cl)Cl)O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.743975 |