| SpectraBase Compound ID | 22AI9PpsvJS |
|---|---|
| InChI | InChI=1S/C12H18N2O4/c1-9(15)7-11(17)13-3-5-14(6-4-13)12(18)8-10(2)16/h3-8H2,1-2H3 |
| InChIKey | BMBXDBNMQGCKMJ-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H18N2O4 |
| Exact Mass | 254.126657 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GldILs7Q7oT |
|---|---|
| Name | 1,4-Diacetoacetylpiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.126657064 u |
| Formula | C12H18N2O4 |
| InChI | InChI=1S/C12H18N2O4/c1-9(15)7-11(17)13-3-5-14(6-4-13)12(18)8-10(2)16/h3-8H2,1-2H3 |
| InChIKey | BMBXDBNMQGCKMJ-UHFFFAOYSA-N |
| Molecular Weight | 254.286 g/mol |
| SMILES | C1N(CCN(C1)C(=O)CC(=O)C)C(=O)CC(=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.976684 |