| SpectraBase Spectrum ID |
C5WbKAoSMPO |
| Name |
1-{4-[(4-Chlorophenoxy)methyl]benzoyl}-4-iodo-3,5-dimethyl-1H-pyrazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.994500461 u |
| Formula |
C19H16ClIN2O2 |
| InChI |
InChI=1S/C19H16ClIN2O2/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 |
DVUKKOUNPADZHT-UHFFFAOYSA-N |
| Molecular Weight |
466.706 g/mol |
| SMILES |
C=1C=C(OCC2=CC=C(C(N3N=C(C)C(=C3C)I)=O)C=C2)C=CC1Cl |
![1-{4-[(4-chlorophenoxy)methyl]benzoyl}-4-iodo-3,5-dimethyl-1H-pyrazole](/api/spectrum/C5WbKAoSMPO/structure.png?h=300&w=458 "1-{4-[(4-chlorophenoxy)methyl]benzoyl}-4-iodo-3,5-dimethyl-1H-pyrazole")
