| SpectraBase Compound ID | 2wh1ydNUdcO |
|---|---|
| InChI | InChI=1S/C11H12ClN3/c1-8-5-11(13)15(14-8)7-9-3-2-4-10(12)6-9/h2-6H,7,13H2,1H3 |
| InChIKey | MHEPRRNMEIJDFT-UHFFFAOYSA-N |
| Mol Weight | 221.69 g/mol |
| Molecular Formula | C11H12ClN3 |
| Exact Mass | 221.071975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJoxuOCy5rF |
|---|---|
| Name | 1-(3-Chlorobenzyl)-3-methyl-1H-pyrazol-5-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.071975098 u |
| Formula | C11H12ClN3 |
| InChI | InChI=1S/C11H12ClN3/c1-8-5-11(13)15(14-8)7-9-3-2-4-10(12)6-9/h2-6H,7,13H2,1H3 |
| InChIKey | MHEPRRNMEIJDFT-UHFFFAOYSA-N |
| Molecular Weight | 221.691 g/mol |
| SMILES | C(C1=CC=CC(Cl)=C1)N1C(N)=CC(C)=N1 |