| SpectraBase Compound ID | D7cRO55GWEJ |
|---|---|
| InChI | InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6-7/h3H,2,4H2,1H3 |
| InChIKey | OWQPLIVCAIEJFS-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C5H8N2O |
| Exact Mass | 112.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DFHKSLHnm6L |
|---|---|
| Name | 1-Acetyl-4,5-dihydro-1H-pyrazole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.063662885 u |
| Formula | C5H8N2O |
| InChI | InChI=1S/C5H8N2O/c1-5(8)7-4-2-3-6-7/h3H,2,4H2,1H3 |
| InChIKey | OWQPLIVCAIEJFS-UHFFFAOYSA-N |
| Molecular Weight | 112.132 g/mol |
| SMILES | C1CN(C(C)=O)N=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971295 |