| SpectraBase Compound ID | 8Z0JxK7IKtY |
|---|---|
| InChI | InChI=1S/C8H14N2O/c1-5-10-7(3)6(2)8(11)9(10)4/h5H2,1-4H3 |
| InChIKey | LEUNCCJCPAXXDO-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C8H14N2O |
| Exact Mass | 154.110613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1qSAIDujZZw |
|---|---|
| Name | 2-Ethyl-1,3,4-trimethyl-3-pyrazolin-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.110613078 u |
| Formula | C8H14N2O |
| InChI | InChI=1S/C8H14N2O/c1-5-10-7(3)6(2)8(11)9(10)4/h5H2,1-4H3 |
| InChIKey | LEUNCCJCPAXXDO-UHFFFAOYSA-N |
| Molecular Weight | 154.213 g/mol |
| SMILES | CN1C(C(C)=C(N1CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959992 |