| SpectraBase Compound ID | Fu2pCqaO317 |
|---|---|
| InChI | InChI=1S/C11H11NO2/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5H,6-7,9H2 |
| InChIKey | NZMIRLKHMFERSX-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 | 5G0utyA9JPQ |
|---|---|
| Name | Cyanoacetic acid 2-phenylethyl ester |
| 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/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5H,6-7,9H2 |
| InChIKey | NZMIRLKHMFERSX-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C=1C=C(CCOC(=O)CC#N)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906224 |