| SpectraBase Compound ID | 2rZSk5Gjwbd |
|---|---|
| InChI | InChI=1S/C11H12N2O2/c1-2-15-11(14)13(9-12)8-10-6-4-3-5-7-10/h3-7H,2,8H2,1H3 |
| InChIKey | NJDUOXQUDCEDCN-UHFFFAOYSA-N |
| Mol Weight | 204.23 g/mol |
| Molecular Formula | C11H12N2O2 |
| Exact Mass | 204.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2vVR7iodEDK |
|---|---|
| Name | Ethyl N-cyano-N-benzylcarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.089877632 u |
| Formula | C11H12N2O2 |
| InChI | InChI=1S/C11H12N2O2/c1-2-15-11(14)13(9-12)8-10-6-4-3-5-7-10/h3-7H,2,8H2,1H3 |
| InChIKey | NJDUOXQUDCEDCN-UHFFFAOYSA-N |
| Molecular Weight | 204.229 g/mol |
| SMILES | C(N(CC=1C=CC=CC1)C#N)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937977 |