| SpectraBase Compound ID | 5xUNVfP752l |
|---|---|
| InChI | InChI=1S/C8H12N2/c1-6-7-4-3-5-8(7)10(2)9-6/h3-5H2,1-2H3 |
| InChIKey | JAODHLDBBMBDSF-UHFFFAOYSA-N |
| Mol Weight | 136.2 g/mol |
| Molecular Formula | C8H12N2 |
| Exact Mass | 136.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkohywoZIrg |
|---|---|
| Name | 1,3-Dimethyl-4,5-trimethylene-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.100048394 u |
| Formula | C8H12N2 |
| InChI | InChI=1S/C8H12N2/c1-6-7-4-3-5-8(7)10(2)9-6/h3-5H2,1-2H3 |
| InChIKey | JAODHLDBBMBDSF-UHFFFAOYSA-N |
| Molecular Weight | 136.198 g/mol |
| SMILES | CN1N=C(C)C2=C1CCC2 |