| SpectraBase Spectrum ID |
GtqO71zRdkx |
| Name |
1H-Pyrazole, 1-[4-(4-iodo-1H-pyrazol-1-yl)-4-oxobutyl]-3,5-dimethyl-4-nitro- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.014134328 u |
| Formula |
C12H14IN5O3 |
| InChI |
InChI=1S/C12H14IN5O3/c1-8-12(18(20)21)9(2)16(15-8)5-3-4-11(19)17-7-10(13)6-14-17/h6-7H,3-5H2,1-2H3 |
| InChIKey |
GHWSLQWAXGDTQG-UHFFFAOYSA-N |
| Molecular Weight |
403.180 g/mol |
| SMILES |
C=1N(N=CC1I)C(=O)CCCN1N=C(C(=C1C)N(=O)=O)C |
![1H-Pyrazole, 1-[4-(4-iodo-1H-pyrazol-1-yl)-4-oxobutyl]-3,5-dimethyl-4-nitro-](/api/spectrum/GtqO71zRdkx/structure.png?h=300&w=458 "1H-Pyrazole, 1-[4-(4-iodo-1H-pyrazol-1-yl)-4-oxobutyl]-3,5-dimethyl-4-nitro-")
