| SpectraBase Compound ID | 57uTM0NsXmq |
|---|---|
| InChI | InChI=1S/C11H11NO2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h1,3,5-9H,2,4H2 |
| InChIKey | OOAUDYZTUWRORH-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BzBqi2NYsEN |
|---|---|
| Name | 1-(1-Cyclopent-2-enyl)-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h1,3,5-9H,2,4H2 |
| InChIKey | OOAUDYZTUWRORH-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C1=CC(CC1)C=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962036 |