![1,3-Dinitrobicyclo[1.1.1]pentane](/api/spectrum/C2KIn7mkpSk/structure.png?h=300&w=458 "1,3-Dinitrobicyclo[1.1.1]pentane")
| SpectraBase Compound ID | Ic4DecftkTX |
|---|---|
| InChI | InChI=1S/C5H6N2O4/c8-6(9)4-1-5(2-4,3-4)7(10)11/h1-3H2 |
| InChIKey | STBMAGHJTCWFGO-UHFFFAOYSA-N |
| Mol Weight | 158.11 g/mol |
| Molecular Formula | C5H6N2O4 |
| Exact Mass | 158.032757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C2KIn7mkpSk |
|---|---|
| Name | 1,3-Dinitrobicyclo[1.1.1]pentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.032756677 u |
| Formula | C5H6N2O4 |
| InChI | InChI=1S/C5H6N2O4/c8-6(9)4-1-5(2-4,3-4)7(10)11/h1-3H2 |
| InChIKey | STBMAGHJTCWFGO-UHFFFAOYSA-N |
| Molecular Weight | 158.113 g/mol |
| SMILES | C12(CC(C2)(C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890573 |