| SpectraBase Compound ID | D1kIqopwg5H |
|---|---|
| InChI | InChI=1S/C10H12N4O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-2,5-8H2 |
| InChIKey | KBMOXEMJQQEOFF-UHFFFAOYSA-N |
| Mol Weight | 220.23 g/mol |
| Molecular Formula | C10H12N4O2 |
| Exact Mass | 220.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeOqgdormrX |
|---|---|
| Name | 3-(4-(3-Oxopropanenitrile)piperazin-1-yl)-3-oxopropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.096025640 u |
| Formula | C10H12N4O2 |
| InChI | InChI=1S/C10H12N4O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-2,5-8H2 |
| InChIKey | KBMOXEMJQQEOFF-UHFFFAOYSA-N |
| Molecular Weight | 220.232 g/mol |
| SMILES | C(N1CCN(CC1)C(CC#N)=O)(CC#N)=O |