| SpectraBase Compound ID | FVRxkk9GxFw |
|---|---|
| InChI | InChI=1S/C10H5ClN2O/c11-8-3-1-7(2-4-8)9-10(5-12,6-13)14-9/h1-4,9H |
| InChIKey | TXPQLTJOGXSVGN-UHFFFAOYSA-N |
| Mol Weight | 204.62 g/mol |
| Molecular Formula | C10H5ClN2O |
| Exact Mass | 204.00904 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6b0yUDuqnJ2 |
|---|---|
| Name | 3-(4-Chlorophenyl)oxirane-2,2-dicarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.009040488 u |
| Formula | C10H5ClN2O |
| InChI | InChI=1S/C10H5ClN2O/c11-8-3-1-7(2-4-8)9-10(5-12,6-13)14-9/h1-4,9H |
| InChIKey | TXPQLTJOGXSVGN-UHFFFAOYSA-N |
| Molecular Weight | 204.616 g/mol |
| SMILES | C1(OC1C=1C=CC(=CC1)Cl)(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874548 |