| SpectraBase Compound ID | r65PeHTa3H |
|---|---|
| InChI | InChI=1S/C6H10N2O/c1-4-5(2)7-8(3)6(4)9/h4H,1-3H3 |
| InChIKey | CACWZFVIOGIBFP-UHFFFAOYSA-N |
| Mol Weight | 126.16 g/mol |
| Molecular Formula | C6H10N2O |
| Exact Mass | 126.079313 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8bVmoPWK6Js |
|---|---|
| Name | 3H-Pyrazol-3-one, 2,4-dihydro-2,4,5-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.079312949 u |
| Formula | C6H10N2O |
| InChI | InChI=1S/C6H10N2O/c1-4-5(2)7-8(3)6(4)9/h4H,1-3H3 |
| InChIKey | CACWZFVIOGIBFP-UHFFFAOYSA-N |
| Molecular Weight | 126.159 g/mol |
| SMILES | CC1C(=O)N(C)N=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945375 |