| SpectraBase Compound ID | 3OUj8S35l7y |
|---|---|
| InChI | InChI=1S/C11H15NO2/c1-3-14-11(13)12-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13) |
| InChIKey | TVSAQMXTJQSGAC-UHFFFAOYSA-N |
| Mol Weight | 193.25 g/mol |
| Molecular Formula | C11H15NO2 |
| Exact Mass | 193.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GmpEEjtXdXx |
|---|---|
| Name | (-)-.alpha.phenethylurethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.110278725 u |
| Formula | C11H15NO2 |
| InChI | InChI=1S/C11H15NO2/c1-3-14-11(13)12-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13) |
| InChIKey | TVSAQMXTJQSGAC-UHFFFAOYSA-N |
| Molecular Weight | 193.246 g/mol |
| SMILES | C1=CC(C(NC(OCC)=O)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947589 |