| SpectraBase Compound ID | GJqhV9ub1dD |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3/b10-6+ |
| InChIKey | SMFPJHWJMUCPEM-UXBLZVDNSA-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 | 9fiEmXST2SZ |
|---|---|
| Name | (E)-2-Nitro-5-phenyl-2-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/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3/b10-6+ |
| InChIKey | SMFPJHWJMUCPEM-UXBLZVDNSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | C(\C=C/(N(=O)=O)C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981514 |