| SpectraBase Compound ID | KJ1VN3SDF2Q |
|---|---|
| InChI | InChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3 |
| InChIKey | JQTMGOLZSBTZMS-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C6H12N2O |
| Exact Mass | 128.094963 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ly5jfU50eVd |
|---|---|
| Name | 4-Methyl-1-piperazinecarboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.094963013 u |
| Formula | C6H12N2O |
| InChI | InChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3 |
| InChIKey | JQTMGOLZSBTZMS-UHFFFAOYSA-N |
| Molecular Weight | 128.175 g/mol |
| SMILES | C1N(CCN(C1)C)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.951764 |