| SpectraBase Compound ID | YioGnEGB0w |
|---|---|
| InChI | InChI=1S/C11H8F2IN3O/c12-7-1-2-10(9(13)3-7)16-11(18)6-17-5-8(14)4-15-17/h1-5H,6H2,(H,16,18) |
| InChIKey | LKYPOSJGVBTTHU-UHFFFAOYSA-N |
| Mol Weight | 363.11 g/mol |
| Molecular Formula | C11H8F2IN3O |
| Exact Mass | 362.968013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VpB1hmSWmd |
|---|---|
| Name | 1H-Pyrazole-1-acetamide, N-(2,4-difluorophenyl)-4-iodo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.968013215 u |
| Formula | C11H8F2IN3O |
| InChI | InChI=1S/C11H8F2IN3O/c12-7-1-2-10(9(13)3-7)16-11(18)6-17-5-8(14)4-15-17/h1-5H,6H2,(H,16,18) |
| InChIKey | LKYPOSJGVBTTHU-UHFFFAOYSA-N |
| Molecular Weight | 363.106 g/mol |
| SMILES | C1(=CC=C(C=C1F)F)NC(=O)CN1C=C(C=N1)I |