| SpectraBase Compound ID | 3JtyBvgDtAl |
|---|---|
| InChI | InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3 |
| InChIKey | CEAIOKFZXJMDAS-UHFFFAOYSA-N |
| Mol Weight | 129.16 g/mol |
| Molecular Formula | C5H11N3O |
| Exact Mass | 129.090212 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8CHbI3Kh4Be |
|---|---|
| Name | 1-Methyl-4-nitrosopiperazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.090211985 u |
| Formula | C5H11N3O |
| InChI | InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3 |
| InChIKey | CEAIOKFZXJMDAS-UHFFFAOYSA-N |
| Molecular Weight | 129.163 g/mol |
| SMILES | C1N(CCN(C1)N=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952729 |