| SpectraBase Compound ID | 41xhtSuWe2 |
|---|---|
| InChI | InChI=1S/C15H8ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H |
| InChIKey | HQDVTSKVEUHDSQ-UHFFFAOYSA-N |
| Mol Weight | 237.69 g/mol |
| Molecular Formula | C15H8ClN |
| Exact Mass | 237.034527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4EFquqHLUfY |
|---|---|
| Name | 10-Chloro-9-anthronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.034526962 u |
| Formula | C15H8ClN |
| InChI | InChI=1S/C15H8ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H |
| InChIKey | HQDVTSKVEUHDSQ-UHFFFAOYSA-N |
| Molecular Weight | 237.689 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=C1C(=C2Cl)C=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89645 |