| SpectraBase Compound ID | izYF0InepU |
|---|---|
| InChI | InChI=1S/C12H14ClN3/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10/h3-6H,7,14H2,1-2H3 |
| InChIKey | UIVQOUVTCNRONU-UHFFFAOYSA-N |
| Mol Weight | 235.72 g/mol |
| Molecular Formula | C12H14ClN3 |
| Exact Mass | 235.087625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12CvaPvrQaO |
|---|---|
| Name | Pyrazol-4-amine, 1-(4-chlorobenzyl)-3,5-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.087625163 u |
| Formula | C12H14ClN3 |
| InChI | InChI=1S/C12H14ClN3/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10/h3-6H,7,14H2,1-2H3 |
| InChIKey | UIVQOUVTCNRONU-UHFFFAOYSA-N |
| Molecular Weight | 235.718 g/mol |
| SMILES | C1=C(C=CC(=C1)CN1C(=C(N)C(=N1)C)C)Cl |