| SpectraBase Compound ID | DNFgS1JyjwW |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-7H,1-2H3/b9-7+ |
| InChIKey | PSXZEUCWNSKKQB-VQHVLOKHSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5BqYVPN3tsr |
|---|---|
| Name | (E)-3-(4-Methoxyphenyl)but-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-7H,1-2H3/b9-7+ |
| InChIKey | PSXZEUCWNSKKQB-VQHVLOKHSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C1=C(C=CC(\C(=C\C#N)C)=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946779 |