| SpectraBase Compound ID | CmPH6V1r8b9 |
|---|---|
| InChI | InChI=1S/C12H22N2O2/c1-3-5-11(15)13-7-9-14(10-8-13)12(16)6-4-2/h3-10H2,1-2H3 |
| InChIKey | XPPVSJUVIPOXNN-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C12H22N2O2 |
| Exact Mass | 226.168128 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5ErpBKIWBt |
|---|---|
| Name | Piperazine 2but |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.168127954 u |
| Formula | C12H22N2O2 |
| InChI | InChI=1S/C12H22N2O2/c1-3-5-11(15)13-7-9-14(10-8-13)12(16)6-4-2/h3-10H2,1-2H3 |
| InChIKey | XPPVSJUVIPOXNN-UHFFFAOYSA-N |
| Molecular Weight | 226.320 g/mol |
| SMILES | C(N1CCN(C(CCC)=O)CC1)(CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982569 |