| SpectraBase Compound ID | 5nIsnoHOZ2k |
|---|---|
| InChI | InChI=1S/C12H13NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-6,8-9H,1-3,7H2 |
| InChIKey | VGSHWVKMFPVQKT-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Jv74LiQ8a |
|---|---|
| Name | 1-Cyclohexenyl-2-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-6,8-9H,1-3,7H2 |
| InChIKey | VGSHWVKMFPVQKT-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C=1C=C(C(=CC1)[N+](=O)[O-])C=1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846061 |