| SpectraBase Compound ID | KKceBJvUEJQ |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-6H,1,7-8,10H2 |
| InChIKey | TZJHICIICFHYKK-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5TBNw0ERmLN |
|---|---|
| Name | 2-(2-Benzoxyethyl)acrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-6H,1,7-8,10H2 |
| InChIKey | TZJHICIICFHYKK-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C(#N)C(=C)CCOCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941459 |