| SpectraBase Compound ID | 6I8he1TLJVg |
|---|---|
| InChI | InChI=1S/C15H16ClN3O2/c1-10-7-15(19(11(2)20)12(3)21)18(17-10)9-13-5-4-6-14(16)8-13/h4-8H,9H2,1-3H3 |
| InChIKey | JWTLLXVFCLXVCW-UHFFFAOYSA-N |
| Mol Weight | 305.77 g/mol |
| Molecular Formula | C15H16ClN3O2 |
| Exact Mass | 305.093104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIMLXqSqQ3t |
|---|---|
| Name | 1-(3-Chlorobenzyl)-3-methyl-1H-pyrazol-5-amine, N,N-diacetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.093104465 u |
| Formula | C15H16ClN3O2 |
| InChI | InChI=1S/C15H16ClN3O2/c1-10-7-15(19(11(2)20)12(3)21)18(17-10)9-13-5-4-6-14(16)8-13/h4-8H,9H2,1-3H3 |
| InChIKey | JWTLLXVFCLXVCW-UHFFFAOYSA-N |
| Molecular Weight | 305.765 g/mol |
| SMILES | C1(=NN(C(=C1)N(C(C)=O)C(=O)C)CC1=CC(=CC=C1)Cl)C |