| SpectraBase Compound ID | 2461zzoqjCi |
|---|---|
| InChI | InChI=1S/C14H14IN3O3/c1-2-21-14(20)10-3-5-12(6-4-10)17-13(19)9-18-8-11(15)7-16-18/h3-8H,2,9H2,1H3,(H,17,19) |
| InChIKey | SYPHJRMMJXBPQG-UHFFFAOYSA-N |
| Mol Weight | 399.19 g/mol |
| Molecular Formula | C14H14IN3O3 |
| Exact Mass | 399.007986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYg5rRri4un |
|---|---|
| Name | Acetamide, 2-(4-iodo-1H-pyrazol-1-yl)-N-(4-ethoxycarbonyl)phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.007986320 u |
| Formula | C14H14IN3O3 |
| InChI | InChI=1S/C14H14IN3O3/c1-2-21-14(20)10-3-5-12(6-4-10)17-13(19)9-18-8-11(15)7-16-18/h3-8H,2,9H2,1H3,(H,17,19) |
| InChIKey | SYPHJRMMJXBPQG-UHFFFAOYSA-N |
| Molecular Weight | 399.188 g/mol |
| SMILES | C1=CC(=CC=C1NC(=O)CN1C=C(C=N1)I)C(OCC)=O |