| SpectraBase Compound ID | KXbrCtqwzLH |
|---|---|
| InChI | InChI=1S/C15H11Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9H2 |
| InChIKey | MUIYVHDFAMWHHP-UHFFFAOYSA-N |
| Mol Weight | 276.17 g/mol |
| Molecular Formula | C15H11Cl2N |
| Exact Mass | 275.026855 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1jP3LThoi0b |
|---|---|
| Name | 2,3-bis(4-Chlorophenyl)propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.026854758 u |
| Formula | C15H11Cl2N |
| InChI | InChI=1S/C15H11Cl2N/c16-14-5-1-11(2-6-14)9-13(10-18)12-3-7-15(17)8-4-12/h1-8,13H,9H2 |
| InChIKey | MUIYVHDFAMWHHP-UHFFFAOYSA-N |
| SMILES | C(CC1=CC=C(C=C1)Cl)(C#N)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935276 |