| SpectraBase Compound ID | FcbNW4YwSaB |
|---|---|
| InChI | InChI=1S/C12H12N4/c1-9-11(7-13)12(14)16(15-9)8-10-5-3-2-4-6-10/h2-6H,8,14H2,1H3 |
| InChIKey | WSSJXCYPQWLVQK-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C12H12N4 |
| Exact Mass | 212.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQ8yGP0wtGq |
|---|---|
| Name | 5-Amino-1-benzyl-3-methyl-1H-pyrazole-4-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.106196402 u |
| Formula | C12H12N4 |
| InChI | InChI=1S/C12H12N4/c1-9-11(7-13)12(14)16(15-9)8-10-5-3-2-4-6-10/h2-6H,8,14H2,1H3 |
| InChIKey | WSSJXCYPQWLVQK-UHFFFAOYSA-N |
| Molecular Weight | 212.256 g/mol |
| SMILES | C=1C=CC(CN2C(=C(C#N)C(=N2)C)N)=CC1 |