| SpectraBase Compound ID | BnikfJJAzRb |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,12H,1H3/b3-2+ |
| InChIKey | XLZOBXJSXAVHDP-NSCUHMNNSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ki31EMUHqvd |
|---|---|
| Name | (E)-3-(4-Hydroxy-3-methoxyphenyl)acrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,12H,1H3/b3-2+ |
| InChIKey | XLZOBXJSXAVHDP-NSCUHMNNSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C1=CC(O)=C(OC)C=C1\C=C\C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915721 |