| SpectraBase Compound ID | ClblRfIhiLm |
|---|---|
| InChI | InChI=1S/C6H8N2O4/c9-7(10)5(1-2-5)6(3-4-6)8(11)12/h1-4H2 |
| InChIKey | PCDATPSSSAILAA-UHFFFAOYSA-N |
| Mol Weight | 172.14 g/mol |
| Molecular Formula | C6H8N2O4 |
| Exact Mass | 172.048407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3TjRCjU4ieU |
|---|---|
| Name | 1,1'-Dinitrobicyclopropyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.048406742 u |
| Formula | C6H8N2O4 |
| InChI | InChI=1S/C6H8N2O4/c9-7(10)5(1-2-5)6(3-4-6)8(11)12/h1-4H2 |
| InChIKey | PCDATPSSSAILAA-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1(C2(CC2)N(=O)=O)CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.854191 |