| SpectraBase Compound ID | eVHxfrca5D |
|---|---|
| InChI | InChI=1S/C12H24N4O4/c1-11(2,15(17)18)9-13-5-7-14(8-6-13)10-12(3,4)16(19)20/h5-10H2,1-4H3 |
| InChIKey | PYQLJAPEWWPYND-UHFFFAOYSA-N |
| Mol Weight | 288.35 g/mol |
| Molecular Formula | C12H24N4O4 |
| Exact Mass | 288.179755 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5w9SjJm6KhM |
|---|---|
| Name | 1,4-bis(2-Methyl-2-nitropropyl)piperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.179755265 u |
| Formula | C12H24N4O4 |
| InChI | InChI=1S/C12H24N4O4/c1-11(2,15(17)18)9-13-5-7-14(8-6-13)10-12(3,4)16(19)20/h5-10H2,1-4H3 |
| InChIKey | PYQLJAPEWWPYND-UHFFFAOYSA-N |
| SMILES | C(C)(N(=O)=O)(C)CN1CCN(CC1)CC(C)(C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809577 |