| SpectraBase Compound ID | 47oNpr692Nq |
|---|---|
| InChI | InChI=1S/C9H8ClNO/c1-7(6-11)12-9-4-2-3-8(10)5-9/h2-5,7H,1H3 |
| InChIKey | OEWPDZVHFDWAIH-UHFFFAOYSA-N |
| Mol Weight | 181.62 g/mol |
| Molecular Formula | C9H8ClNO |
| Exact Mass | 181.029442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Bstwm77D1O |
|---|---|
| Name | 2-(3-Chlorophenoxy)propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.029441581 u |
| Formula | C9H8ClNO |
| InChI | InChI=1S/C9H8ClNO/c1-7(6-11)12-9-4-2-3-8(10)5-9/h2-5,7H,1H3 |
| InChIKey | OEWPDZVHFDWAIH-UHFFFAOYSA-N |
| Molecular Weight | 181.622 g/mol |
| SMILES | C(C(C)OC=1C=C(C=CC1)Cl)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813459 |