| SpectraBase Compound ID | AgKeP45MUZS |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-2-3-4-14-11-6-9(8-12)5-10(13)7-11/h2,5-7,13H,1,3-4H2 |
| InChIKey | NPRFKOVUDKSMKQ-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6mSLZU2vSSe |
|---|---|
| Name | 3-(but-3-Enyloxy)-5-hydroxybenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-2-3-4-14-11-6-9(8-12)5-10(13)7-11/h2,5-7,13H,1,3-4H2 |
| InChIKey | NPRFKOVUDKSMKQ-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C(#N)C1=CC(O)=CC(=C1)OCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811256 |