| SpectraBase Compound ID | 5kWj2jduzaC |
|---|---|
| InChI | InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
| InChIKey | YRSSHOVRSMQULE-UHFFFAOYSA-N |
| Mol Weight | 188.01 g/mol |
| Molecular Formula | C7H3Cl2NO |
| Exact Mass | 186.959169 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 11auIfgCIGH |
|---|---|
| Name | 3,5-Dichloro-4-hydroxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.959169120 u |
| Formula | C7H3Cl2NO |
| InChI | InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H |
| InChIKey | YRSSHOVRSMQULE-UHFFFAOYSA-N |
| Molecular Weight | 188.013 g/mol |
| SMILES | OC1=C(C=C(C=C1Cl)C#N)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.950885 |