| SpectraBase Compound ID | AggFr5HH0Pe |
|---|---|
| InChI | InChI=1S/C12H17N3O2/c1-5-12(3,4)15-8-9(10(7-13)14-15)11(16)17-6-2/h8H,5-6H2,1-4H3 |
| InChIKey | HLBYOUSKJKMSDV-UHFFFAOYSA-N |
| Mol Weight | 235.29 g/mol |
| Molecular Formula | C12H17N3O2 |
| Exact Mass | 235.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDm3a8tlhye |
|---|---|
| Name | 1H-PYRAZOLE-4-CARBOXYLIC ACID, 3-CYANO-1-(1,1-DIMETHYLPROPYL)- ETHYL ESTER, |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H17N3O2 |
| InChI | InChI=1S/C12H17N3O2/c1-5-12(3,4)15-8-9(10(7-13)14-15)11(16)17-6-2/h8H,5-6H2,1-4H3 |
| InChIKey | HLBYOUSKJKMSDV-UHFFFAOYSA-N |
| Instrument Name | BRUKER WM-250 |
| NMR Standard | TMS |
| Solvent | CDCl3 |