| SpectraBase Spectrum ID |
3UbSgXWzF7K |
| Name |
4-Bromo-1-{4-[(4-bromophenoxy)methyl]benzoyl}-3,5-dimethyl-1H-pyrazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.957853761 u |
| Formula |
C19H16Br2N2O2 |
| InChI |
InChI=1S/C19H16Br2N2O2/c1-12-18(21)13(2)23(22-12)19(24)15-5-3-14(4-6-15)11-25-17-9-7-16(20)8-10-17/h3-10H,11H2,1-2H3 |
| InChIKey |
MQNRPTMEKHHJSY-UHFFFAOYSA-N |
| Molecular Weight |
464.157 g/mol |
| SMILES |
C1=C(Br)C=CC(OCC2=CC=C(C(N3N=C(C)C(=C3C)Br)=O)C=C2)=C1 |
![4-bromo-1-{4-[(4-bromophenoxy)methyl]benzoyl}-3,5-dimethyl-1H-pyrazole](/api/spectrum/3UbSgXWzF7K/structure.png?h=300&w=458 "4-bromo-1-{4-[(4-bromophenoxy)methyl]benzoyl}-3,5-dimethyl-1H-pyrazole")
