| SpectraBase Compound ID | 7mfril3yFCA |
|---|---|
| InChI | InChI=1S/C10H9NO/c11-8-10(6-7-12)9-4-2-1-3-5-9/h1-6,12H,7H2/b10-6- |
| InChIKey | WQUUTROQEDDOLQ-POHAHGRESA-N |
| Mol Weight | 159.19 g/mol |
| Molecular Formula | C10H9NO |
| Exact Mass | 159.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DqmGvmKLtO0 |
|---|---|
| Name | (E)-4-Hydroxy-2-phenylbut-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.068413913 u |
| Formula | C10H9NO |
| InChI | InChI=1S/C10H9NO/c11-8-10(6-7-12)9-4-2-1-3-5-9/h1-6,12H,7H2/b10-6- |
| InChIKey | WQUUTROQEDDOLQ-POHAHGRESA-N |
| Molecular Weight | 159.188 g/mol |
| SMILES | C(#N)\C(C1=CC=CC=C1)=C\CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878419 |