| SpectraBase Compound ID | 4trATD6aOg0 |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h4-9H,2-3H2,1H3/b6-4+ |
| InChIKey | ZKYFVUBTTUTOIK-GQCTYLIASA-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 | 25mMkMKWbdd |
|---|---|
| Name | (E)-1-(3-Nitrophenyl)-1-pentene |
| 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/c1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h4-9H,2-3H2,1H3/b6-4+ |
| InChIKey | ZKYFVUBTTUTOIK-GQCTYLIASA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C(\C=C\C=1C=C(C=CC1)N(=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82351 |