![1-Nitro-bicyclo-[1.1.1]-pentane](/api/spectrum/AXxevJOQGLA/structure.png?h=300&w=458 "1-Nitro-bicyclo-[1.1.1]-pentane")
| SpectraBase Compound ID | 5bdEGcgkLdn |
|---|---|
| InChI | InChI=1S/C5H7NO2/c7-6(8)5-1-4(2-5)3-5/h4H,1-3H2 |
| InChIKey | NZZVPGCRTGIOIU-UHFFFAOYSA-N |
| Mol Weight | 113.12 g/mol |
| Molecular Formula | C5H7NO2 |
| Exact Mass | 113.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AXxevJOQGLA |
|---|---|
| Name | 1-Nitro-bicyclo-[1.1.1]-pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.047678467 u |
| Formula | C5H7NO2 |
| InChI | InChI=1S/C5H7NO2/c7-6(8)5-1-4(2-5)3-5/h4H,1-3H2 |
| InChIKey | NZZVPGCRTGIOIU-UHFFFAOYSA-N |
| Molecular Weight | 113.116 g/mol |
| SMILES | C12(N(=O)=O)CC(C2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809865 |