![4-bromo-3,5-dimethyl-1-[(3-methylphenoxy)acetyl]-1H-pyrazole](/api/spectrum/4nVg4iUDjUP/structure.png?h=300&w=458 "4-bromo-3,5-dimethyl-1-[(3-methylphenoxy)acetyl]-1H-pyrazole")
| SpectraBase Compound ID | 6gdGJRaJ54i |
|---|---|
| InChI | InChI=1S/C14H15BrN2O2/c1-9-5-4-6-12(7-9)19-8-13(18)17-11(3)14(15)10(2)16-17/h4-7H,8H2,1-3H3 |
| InChIKey | IYNVDUAQWSPJRP-UHFFFAOYSA-N |
| Mol Weight | 323.19 g/mol |
| Molecular Formula | C14H15BrN2O2 |
| Exact Mass | 322.031691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nVg4iUDjUP |
|---|---|
| Name | 4-Bromo-3,5-dimethyl-1-[(3-methylphenoxy)acetyl]-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.031690729 u |
| Formula | C14H15BrN2O2 |
| InChI | InChI=1S/C14H15BrN2O2/c1-9-5-4-6-12(7-9)19-8-13(18)17-11(3)14(15)10(2)16-17/h4-7H,8H2,1-3H3 |
| InChIKey | IYNVDUAQWSPJRP-UHFFFAOYSA-N |
| Molecular Weight | 323.190 g/mol |
| SMILES | CC1=CC(OCC(=O)N2C(=C(Br)C(=N2)C)C)=CC=C1 |