| SpectraBase Compound ID | LicGOiRAsdr |
|---|---|
| InChI | InChI=1S/C12H11NO/c1-2-6-12(9-14-12)11-5-3-4-10(7-11)8-13/h2-5,7H,1,6,9H2 |
| InChIKey | LJLPKUOIIGGIEL-UHFFFAOYSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4p5SWEptcM8 |
|---|---|
| Name | 3-(2-Allyloxiran-2-yl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c1-2-6-12(9-14-12)11-5-3-4-10(7-11)8-13/h2-5,7H,1,6,9H2 |
| InChIKey | LJLPKUOIIGGIEL-UHFFFAOYSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C1(OC1)(C=1C=C(C#N)C=CC1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907281 |