| SpectraBase Compound ID | 4vY7SP29eyV |
|---|---|
| InChI | InChI=1S/C16H18N2O4/c1-9-6-10(2)14(11(3)7-9)18-8-12(15(19)21-4)13(17-18)16(20)22-5/h6-8H,1-5H3 |
| InChIKey | OAOQHGCOGMXVJR-UHFFFAOYSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C16H18N2O4 |
| Exact Mass | 302.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69hM0jlDZof |
|---|---|
| Name | 3,4-Dimethyl 1-(2,4,6-trimethylphenyl)pyrazole-3,4-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.126657064 u |
| Formula | C16H18N2O4 |
| InChI | InChI=1S/C16H18N2O4/c1-9-6-10(2)14(11(3)7-9)18-8-12(15(19)21-4)13(17-18)16(20)22-5/h6-8H,1-5H3 |
| InChIKey | OAOQHGCOGMXVJR-UHFFFAOYSA-N |
| Molecular Weight | 302.330 g/mol |
| SMILES | C1(=CC(=C(C(=C1)C)N1C=C(C(=N1)C(OC)=O)C(OC)=O)C)C |