| SpectraBase Compound ID | 1hQDt1ul4Py |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-9-4-6-10(7-5-9)3-2-8-14-11(12)13/h2-7H,8H2,1H3,(H2,12,13)/b3-2+ |
| InChIKey | SZEZAMAQHDYENK-NSCUHMNNSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gqvxx7FprZ1 |
|---|---|
| Name | (E)-3-p-Tolylallyl carbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c1-9-4-6-10(7-5-9)3-2-8-14-11(12)13/h2-7H,8H2,1H3,(H2,12,13)/b3-2+ |
| InChIKey | SZEZAMAQHDYENK-NSCUHMNNSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C(=O)(N)OC\C=C\C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88222 |